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Chimera Requests and Ideas
This page lists ideas for new Chimera features and new documentation. Currently they include only those collected by Tom Goddard (focus on density maps, molecular assemblies, electron microscopy).
278.
Color zone with smooth edges
November 2, 2010
Xiaofeng
Would be nice if color zone produced colored regions with smooth edges.
Currently the edges are jagged because the surface triangles that straddle
the edge can only have coloring linearly interpolated from vertices.
One solution would be to compute an equivalent surface where triangles that
straddle two (or three) colors are split (and boundary vertices duplicated).
They should be split at the point
where the zone used in color zone ends. This surface recalculation is currently
done by "measure contactarea" for patch display and produces beautiful results.
Coloring a molecular surface by atom colors would also produce a much prettier
result using this technique.
277.
Surface mesh simplification for 3d printing
October 21, 2010
Joe DeRisi
Provide mesh simplification to reduce triangles in multiscale dialog virus
surfaces (e.g. 3kz4, res 5A). The uPrint 3d plastic printer currently crashes
on the large surface files (1 million triangles), apparently for lack of memory.
Tried MeshLab using quadric decimation and 2x - 4x triangle reduction produced
reasonable approximations though different in details.
276.
Tiled display of EM 2d images
October 20, 2010
Javier Velazquez
Show tiled 2d images of particles from EM micrographs or class averages.
Be able to apply common normalization (mean 0, sdev 1). This is done by
xmipp_show program but that program is not widely used.
275.
Add units option to SAXS dialog
October 19, 2010
Alex Shkumatov
Allow specifying nanometer or Angstrom units in SAXS dialog, also 2*pi factor.
These apply to q value of experimental profile.
274.
Side-Top-Front-Back View
September 29, 2010
YZ(originally from attendees at Pitt Chimera Workshop)
The main Chimera window could split into four, each of them shows the scene from side, top, front/back, prospective correspondingly.
273.
Handle moved volume files gracefully
Bug #8781
September 14, 2010
Moving a volume file when it is open in Chimera causes errors when Chimera
later needs to read more of the file. Currently it gives a traceback. It
would be better to provide a user-friendly error message. Probably also need
to assume the data is all zeros so that the code continues to function correctly
when the data is gone.
272.
Gaussian filter option to preserve value type
Monica Lin
August 6, 2010
Add option to gaussian filtering to preserve data type (e.g. unsigned 8-bit integer)
instead of producing a 32-bit float values. The 32-bit values take 4 times more
memory than 8-bit values that are typical in EM tomograms and fibsem and that size
increase can greatly impair usability.
271.
Report progress when cropping rotated volume
Monica Lin
July 29, 2010
Cropping a volume with a rotated selection box for a large tomogram may take
minutes if the result causes thrashing, or is very large on a machine with very
large memory. Would be nice to be able to see progress messages and cancel the
operation. May be a rare situation. Happened with fibsem termite gut data.
270.
File / Open dialog user directories
Tom Goddard
June 25, 2010
Want open and save dialogs to have a list of commonly used directories
chosen by the user. Currently there is a list of the most recently used
directories. That should also be available. I frequently find that my
commonly used directories fall off the list of recently used ones. This
problem has been dealt with by the native Mac file dialog and probably also
the native Windows file dialog and those native dialogs should be used if
possible.
269.
Split map create smaller size volumes
Matt Dougherty
June 22, 2010
Have an option to the color zone dialog split map capability where the
resulting volume copies are only as big as needed for the copied zone.
This will save memory avoiding out-of-memory errors.
268.
Supersampling volume data
Mario Borgnia
June 16, 2010
Make it easier to supersample volume data for example by a factor of 2
to reduce pixelation artifacts when rendering. Could be a vop command
option.
267.
POVray for solid style volume data
Mario Borgnia
June 16, 2010
Would like povray image saving for volumetric data. Apparently povray is able
to render it (http://local.wasp.uwa.edu.au/~pbourke/miscellaneous/df3/).
266.
Hide dust volume filter
Jason ODonnell
June 11, 2010
Would like to be able to zero density within small density blobs giving
the same effect as the "hide dust" tool but using a density change instead
of simply hiding parts of the contour surface. This could be an option to
the vop comand. With it a morph between the original map and dust erased
map would show the dust shrink and vanish -- an interesting way to animate
hiding the dust.
265.
Hide dust command
Matt Dougherty
June 10, 2010
Would like a command equivalent to the hide dust dialog. It should also
be able to simply color the dust or add transparency. Could use this to
fade the dust in an animation. For that it would be useful if there was
a "frames" option to specify over how many frames to make the change over.
264.
Cross-fade option to movie command
Matt Dougherty
June 10, 2010
Would like to have a movie command "fade" option that does a cross-fade
between the preceding captured frame and the next captured frame. Might
look like "movie fade frames 25". Would use this to animate hiding dust.
263.
Session restore don't change window size
Tom Goddard
June 10, 2010
Want to be able to open session files without having the Chimera window resize.
This is useful when giving a demonstration with a full screen Chimera window
and showing several sessions. I think the best way to do this is to have a
preference, "Session restore changes window size" defaulting to true. On the
demonstration computer the preference could be set to false.
262.
Command to set bond length
Le Monk
May 25, 2010
Would like command to set bond length. This capability is in the build
structure dialog.
261.
Motion blur image from recorded movie
Lila Rubenstein, Jie Fu
May 18, 2010
Would be neat of movie recording could optionally produce a motion blurred
single image from start to end of the movie. It would be used with morph
conformations to show a motion in a static image. It could have parameters
indicate how bright the intermediate blur is relative to the start and end
images. Might also have an option to dim the start state (or end state).
This would be a pretty simple to implement accumulating the image from the
captured images.
260.
Make multiscale handle CA-only chains with ligands
Batsal Devkota
May 11, 2010
Want a more robust way to choose the contour level for making Multiscale surfaces.
Bug report #8353 describes a case where a PDB file has CA-only protein
chains combined with all-atom ligands. The Multiscale dialog thinks this
is an all-atom model and uses an atom-density appropriate for an all atom
model to make the surface depiction. The resulting surface is empty because
of the low actual density.
259.
Command to set transform matrix
Vijay Reddy
April 28, 2010
Would like to be able to specify a transformation matrix as a 3x4 matrix
to apply to some specified models. Could conceivably add a rotation matrix
option to the turn command. But it would complicate thet command syntax since
it now requires axis and angle as fixed position (non-keyword) parameters.
Might want to either set the transform or apply the transform to the existing
orientation. Might want to apply it in local or global coordinates.
258.
Project volume data to 2-d
Ryo
April 27, 2010
Want to project an 3-d volume data set to 2-d including projection along
axes other than the data x, y or z axes. Could be added to the vop command
and could use existing resampling capability to project along non-data axes.
257.
Command to set view direction
Vijay Reddy
April 27, 2010
Would be useful to have a command to set the view direction along an axis
specified with 3 coordinates in order to be able to look down the symmetry
axis of a map or molecular assembly (e.g. pentamer of a virus).
256.
Single click to show single volume
Mike Schmid
April 2, 2010
Want a single-click way to show a specific volume and hide all other volumes.
How about right-click on volume dialog show map icon? How can switching between
more than 3 maps be most easily handled?
255.
Command to set surface cap color
Jean-Paul Armache
March 5, 2010
I would like to ask you whether there is a way to
change the cap color not only from the Surface capping tool, but the command line as well
and declare it maybe in a script (like for example coloring of the maps and models).
Should have surface cap command to control whether caps shown/hidden, mesh/fill style,
subdivision, offset. Best if these were settable on a per-surface basis (not possible in
dialog). The same command might control general surface properties.
254.
Group models
Jean-Paul Armache
March 3, 2010
I am often juggling between different sets that are to be turned on/off together. Is there a way of grouping maps/pdbs
so that instead of turning 20 pdbs on, i could just click on a group to which they belong ? If there is something like that,
could you point me to it ? And if not, would it be possible to have it in the Model Panel?
253.
New command "active"
Tom Goddard
March 3, 2010
Create a new command "active" to specify which models are active (ie. movable).
Currently this is done with the misleadingly named "select" command provided
the model number argument isn't preceded with "#". If the argument does start
with "#" then "select" behaves differently controlling selection instead of
activation. This senseless and confusing select command was an attempt to preserve
the historical "select" command for activating models. "select" for activating
models should be deprecated and a new command "active" should do this job. This
message
points out contortions that are encountered without the "active" command.
252.
Display principal axes for sets of atoms
Giuseppe Falini
February 12, 2010
I am using Chimera to create ellipsoids from specific sets of atoms. The ellipsoids are shown in the graphic window as a surface model and information about each ellipsoid are given in the reply log. In it the ellipsoid vectors are reported among others info. I wonder if you have a command to show vectors defining the ellipsoid instead of the surface model in the graphic window.
251.
Background image/movie creation for databases
Tom Goddard
February 10, 2010
Here is an idea for producing images and movies in nogui mode in Chimera. My interest in this is because my San Diego visit tomorrow is to an NCRR center (NRAMM) that automates EM data collection and processing and they like to automatically make Chimera images and movies using this background pipeline. Of course, they can (and maybe do) use the Linux Headless Chimera version for this. But why not make it easier by not requiring a special Chimera and particular operating system? Could Mesa be included in the standard Linux Chimera and when the --nogui flag is used it could set LD_LIBRARY_PATH to link to Mesa instead of the system OpenGL to allow background image/movie creation without being logged into the console? If Mesa builds on Mac and Windows they could also do this too?
Allowing public database sites to generate images and movies as a background console-less process without requiring a special Chimera that is now available on only one operating system might encourage that use. Although there are relatively few databases who might use that, the impact of having Chimera images on those sites may justify the effort.
Currently the PDB, EMDB (EM Navigator Japan PDB), and NRAMM resource (San Diego) do database image generation with Chimera. Not sure if Andrej Sali uses it for ModBase -- that could be another customer.
250.
Volume thresholding
Michael Zimmermann
February 2, 2010
Allow the vop command to set volume data values below a given threshold
to a specified value. Also allow setting data values above a given threshold
to a specified value.
249.
Renumber residues
Jonathan Sheehan
January 28, 2010
Two of the most common tasks I need to do when constructing a model
are: renaming the chains in the structure, and renumbering stretches
of residues. I can imagine two menu items similar to
"Actions->Atoms/Bonds->Delete" named "Set chain ID..." and "Renumber
residues from..." that could operate on the current selection.
I suspect these menu options (or something similar, maybe under
"structure editing"?) would be helpful to many folks. It could be a
lot faster / easier than generating the right awk line or venturing
into Emacs' PDB-mode.
248.
Rename chains
Jonathan Sheehan
January 28, 2010
Two of the most common tasks I need to do when constructing a model
are: renaming the chains in the structure, and renumbering stretches
of residues. I can imagine two menu items similar to
"Actions->Atoms/Bonds->Delete" named "Set chain ID..." and "Renumber
residues from..." that could operate on the current selection.
I suspect these menu options (or something similar, maybe under
"structure editing"?) would be helpful to many folks. It could be a
lot faster / easier than generating the right awk line or venturing
into Emacs' PDB-mode.
247.
Circular ribbon dislay
Volodymyr Babin
January 28, 2010
I would like to
visualize a circular molecule using ribbons. As far as I can tell,
with the current code ribbons always have ends (cannot be closed).
246.
Save SAXS profile results in a file
Tom Goddard
January 26, 2010
The SAXS profile calculation should provide the capability to save
the FoXS output file to disk, especially when it was computed using
a web service. This allows the user to analyze it outside Chimera.
245.
Display SAXS fit chi value
Dina Schneidman
January 26, 2010
The SAXS profile plot should display the chi value for the fit to the
experimental data. This found in the header of the output file.
244.
Make "wait" command with no arguments work with volume planes
Bridget Carragher
January 23, 2010
The wait command with no arguments does not wait for the "volume planes" command.
Also does not wait for the vop morph command. Also probably does not wait for
surftransparency command with frames argument. Make "wait" with no frame count
wait for all commands that take frame count arguments.
243.
Show distances to nearby atoms
Miguel Ortiz Lombardia
January 20, 2010
Want to display distances graphically from selected atoms to all other atoms within
a specified distance.
242.
Silhouettes for dashed lines
Thomas Mitterfellner
December 22, 2009
Would like silhouette edges for bond wire display especially when
using dashed lines. An alternative would be to support dashed stick
bonds.
241.
Thumbnail images within session files
Thomas Marlovits
December 22, 2009
Have sessions contain thumbnail images which can be viewed in Chimera
file browser and ideally in Windows/Mac/Linux file browser too.
240.
Distance measurement without graphical display
Bala Subramanian
December 22, 2009
Want to record distance between two atoms in every frame of an MD trajectory.
"distance" command executed twice with same atoms gives an error. Requires
also doing ~distance in per-frame script. Make the ~distance unnecessary.
Add distance measurement to "measure" command.
239.
Up-arrow custom atom groupings
Thomas Mitterfellner
December 22, 2009
Allow user to specify atom groups for extending selections with up-arrow key.
238.
Hide selected pseudobonds with Actions / Atoms+Bonds / hide
Vijay Reddy
December 21, 2009
It is easy to select missing segment pseudobonds with the mouse (select
one then press up-arrow key), but figuring out how to hide them is then
difficult. Seems most obvious that menu entry Actions / Atoms+Bonds / hide
should hide them but it does nothing currently.
237.
Report center coordinates of molecule
Bala Subramanian
December 18, 2009
Make measure command able to report geometric or mass weighted center
of specified atoms.
236.
Improve programming examples
Will Moore
December 14, 2009
Note in programming examples whether you are intended to cut and paste code into the IDLE window or simply load a script. I don't know what was intended. Use full paths to files, or say that Chimera must be started in the directory containing the needed files, or explain how to use Chimera "cd" command to change to directory containing needed files. Say how to run Chimera from a terminal on Mac OS. Do the examples say to run Chimera from a command-line? Would be useful for issue 2 above. What will be done on Microsoft Windows? The ToolbarButton.py doesn't work unless the "import re" and "import chimera" are in the function body. This is because Chimera deletes all globals after loading a file. This has often been a headache for me and Chimera should not delete globals.
235.
Move specific models using saved positions
Chris Arthur
November 23, 2009
Savepos / reset allows moving all models and the camera settings to saved
views. For moving making it would be helpful to add options to reset to not
restore the camera position (use the current camera view and move the models),
and also to only move specified models (relative to unmoved ones).
234.
Command to report volume mean, sd, rms
Terry Lang
November 23, 2009
Make the measure volumestats command report mean, standard deviation
and rms for a volume.
233.
Introduce Chimera global coordinate system
Tom Goddard
November 18, 2009
Add a transformation matrix that describes the position of a new
"global" coordinate system in the view frame. This transform would
change when all models are rotated. The current model transforms would
not change in that case. Currently the "model with lowest id" defines a
sort of defacto global coordinate system. New models are opened aligned
with that coordinate system. This is very confusing when models are moved
relative to one another and a newly opened model aligns with an unintended
model. In the proposed system the model transforms would only be used for
relative model motions. We would know which models have been moved relative
to the global frame (non-identity model transform). I believe this would
make much more sense to the user.
232.
Show model coordinate axes
Damien Lariviere
November 14, 2009
Is is possible in Chimera to display a reference frame? if yes, can we display the default one of the software or the one of a 3D structure?
Would be nice to display 3-axes perhaps in 3 colors as in VMD for any specified model or for
all models in the common case where they all share the same coordinate system. Might also
have option to center axes depiction at center or corner of model bounding box.
231.
Stereo parameter controls
Matt Dougherty
November 16, 2009
I am finding that getting the optimal stereo view requires ongoing adjustment of the stereo parameters, particularly when multiple people are observing the structure simultaneously (e.g., depthQ stereo projector). Currently these numbers have to be typed in, requiring me to break my gaze, move a mouse, and type a number. Ideally it would good to have controls similar to binoculars, such that you maintain constant view and adjust by turning knobs.
Getting hardware knobs may be impractical, but these improvements could help.
1) two small buttons (+/-) next to each stereo parameter.
2) commands that would do the same (small incremental changes). Then I could have my nostromo n52 USB game box dedicate the dual axis thumb button for stereo adjustment by issuing keyboard commands.
230.
Matrices from file with Multiscale tool
Damien Lariviere
November 18, 2009
Allow the sym command to read symmetry matrices from a file.
Also allow the command to make multiscale surfaces instead of
copies of the molecule.
229.
Video documentation
Phil Bourne, Jeff Blaney, advisory committee
November 13, 2009
Make more short video clips explaining Chimera features. The
commercial software for making screen capture videos could make the
process much easier than what Andrew did in 2008.
228.
Caps for clipped VRML surfaces
Damien Lariviere
November 17, 2009
After exporting multiscale surface as vrml and opening vrml in Chimera
cannot get caps when clipping.
227.
Position scalebar text better
Tom Goddard
November 6, 2009
Make the scale bar text which says the length of the bar (e.g. 100 A)
center on the bar and offset nicely maybe 1/4 font height spacing above
bar.
226.
Easier way to select "turns"
Haixin Sui
November 6, 2009
Would like an easy way to select turns, ie all protein residues that are not helix and
not sheet. The menu entry Select / Structure / secondary structure / "turn" does not
do this, instead selecting residues specified in PDB TURN records -- seems almost useless
in practical work. Perhaps that menu entry can just select non-helix non-sheet residues.
There is a long command to achieve this "sel protein & ~ helix & ~ strand" but few if any
users will figure that out.
225.
Reduce volume resample temporary memory use
Lori Nyland
October 28, 2009
Volume resampling on a new grid is making a temporary copy of the interpolated
data values in floating point - 4 bytes per grid point. This unnecessary memory
use reduces the speed of resampling and limits volume size for large maps where
there is not enough physical memory.
224.
Make unit cell work with CIF files
Thomas Mitterfellner
October 28, 2009
Use cell parameters and space group from CIF header as is currently done
for PDB files using CRYST1 record.
223.
Silhouette edges for surface mesh
Thomas Mitterfellner
October 27, 2009
Would like silhouette edges for surface mesh, specifically for crystal unit cell outline.
222.
Allow structure minimization to calculate only with selected residues
Tom Goddard
October 13, 2009
Currently the structure minimization tool can hold fixed unselected atoms
but it still uses those atoms in computing forces. This can be extremely
slow for large molecules (1 step per second for 5000 atoms). For simple
loop minimizations only a local set of residues need be considered making
the calculation extremely fast. I've tried this by deleting all the atoms
that aren't needed for the minimization, minimizing (100 steps per second),
then copying coordinates back to the full structure -- quite tedious.
221.
Make command to copy a molecule
Tom Goddard
October 13, 2009
Have the mcopy command without a second argument make a new copy of
the specified molecule(s).
It's a pain to have to save a molecule to a file and reload it to make
a copy.
220.
Calculate hydrodynamic radius for EM map
Sudheer Molugu
October 13, 2009
There's a definition on wikipedia.
Hydrodynamic radius
is related to diffusion in solvent and also optical properties. Could perhaps use
uniform solid bounded by map contour surface.
219.
Make one layer mesh hide far mesh
Elaine Meng
October 13, 2009
Currently the one transparent layer surface option on mesh display just hides
the far mesh lines at points where they cross near mesh lines -- almost no effect.
Would be much more useful if it hid the entire far mesh as if the foremost mesh
was a filled surface. This sounds easy, a matter of writing the filled triangles
to the OpenGL depth buffer, but I this will obscure front mesh lines in places
because the triangle and edge depths are not identical. Not sure.
218.
Show/hide buttons under command-line
Elaine Meng
October 12, 2009
Replace the "active" buttons under the command-line with "shown" buttons.
Toggling whether models are shown or not is much more common then whether
they are active (ie can be moved with mouse).
217.
Move connected atoms mouse mode
Elaine Meng
October 12, 2009
Make movement mouse mode able to move the connected atoms under the mouse.
There's currently a keyboard shortcut (sc) to extend a selection to connected
atoms and then the existing move selected atoms could be used. But eliminating
the selection step could be useful. Also keyboard shortcuts are little used
and Chimera has no non-shortcut means of selecting connected atoms.
216.
Allow mmaker command to work on domains
Tom Goddard
October 5, 2009
Want to be able to control which domains are aligned between two homologous
proteins for measuring relative domain rotations. Could work by simply
concatenating specified residues to form the sequence for each set of residues.
A very common case would have the domain specified as a contiguous set of residues
e.g. #0:25-182 matched to #1:30-190. Another case common case would have the domain
in two contiguous residue ranges, say #0:25-121,237-294 matched to #1:30-115,318-370.
215.
Make turn command able to move parts of molecules
Tom Goddard
October 5, 2009
Allow turn command to move parts of molecules, for instance moving one domain
relative to another in a hinge motion for fitting.
214.
Make last down-arrow clear selection
Cathy Lawson
October 2, 2009
More convenient than the many alternatives (ctrl-click background, ~sel, shortcut cs).
213.
Add "undo move" button to fit map dialog
Cathy Lawson
October 2, 2009
Probably can be the same as Tools / Movement / Undo Move. If fit in map is changed
to allow moving only selected coordinates, undo move will have to be more sophisticated,
or less desirable -- show a message indicating that can't undo if only some atoms of
molecule are moved.
212.
Silhouette edges don't fade out in movies
Tom Goddard
October 1, 2009
It is useful to fade in and out surfaces in movies by varying their transparency
with the surftransparency command (e.g. "surft 100 #3 25" change surface #3 to
100% transparent over 25 frames). When showing silhouette edges the edges don't fade
with the surface, making for an unsatisfactory fade out. Could the edges be made to
match the transparency of the surface? I think that is not possible with the current
stencil buffer algorithm. Silhouette edges are very useful for giving depth to
transparent surfaces, so it would be nice to be able to use them in movie fades.
211.
Brightness glitches in movies
Tom Goddard
October 1, 2009
Turning on display of a model during a movie often will cause the clip planes
to move to encompass the whole scene (clipping off), that in turn causes the
depth cuing to change. It's no problem in interactive use, but makes an
annoying brightness glitch in recorded movies. Is there a way to avoid that
glitch other than turning off depth cuing? What's a good way to handle this
when recording movies?
210.
Show virus gray levels on spherical surface
Tim Baker
January 23, 2009
Want to be able to interactively adjust sphere radius while displaying virus
map gray levels on sphere. Chimera can do this now by combining the Icosahedron
tool and surface color tool but there are two problems: 1) too slow when showing full
resolution data, and 2) many steps required to set up this mode. The first problem
is partially alleviated by the per-pixel coloring option of the surface color tool
which allows full resolution volume data display on a coarse triangulated surface.
But that requires that the full volume data fit in an OpenGL 3d texture which limits
this technique to small maps. Would be useful to have a special purpose tool to ease
the setup of this useful viewing mode. Baker lab uses RobEM program developed at Purdue
for this but it can only handle limited map sizes.
209.
Measure surface area and volume for partially hidden surfaces
Greg Couch
September 28, 2009
Would like to be able to measure surface area and volume using only the displayed
portion of a surface (with measure command or dialog). Currently it uses hidden
parts of the surface. Want this for measuring volume in an ion channel.
208.
Allow hiding molecular surface pieces
Natalie Bordag
September 22, 2009
Want to hide the outer connected piece of a molecular surface and leave
showing only the pocket surface. Maybe the separate connected surface
pieces could be individually selected and hidden. Can do this in a bad way
with shortcuts Sc (split connected) and Ds (delete surface pieces) but it
makes the Actions / Surface menu not work. The associations between atoms
and surface vertices gets messed up. Having molecular surface pieces
individually hidable will require changes to the current implementation where
visibility of surface patches is stored with atoms.
207.
Allow changing model id number after model is opened
Thomas Marlovits
September 22, 2009
Provides flexibility for grouping models. Provides a mechanism for
moving models independently that were initially created with the same
model id number.
206.
Join unit cell half benzene rings
Mike Day
September 4, 2009
Crystals with asymmetric units containing half a benzene ring are not handled
well by the unit cell tool. The half benzene rings can appear far outside the
unit cell boundaries and half benzenes from different asymmetric units are not
covalently joined. Mike provided two example files iat03.pdb, ta21.pdb.
205.
Make unit cell dialog work with CIF files
Mike Day
September 1, 2009
CIF files contain explicit symmetry operators that could be used by the unit cell dialog.
204.
Allow recording movie with frame size larger than screen
Anastasia Aksyuk
August 28, 2009
Add option to movie command to record frames at a specified frame size instead of
using the current window size.
203.
Make ac command for running keyboard shortcuts work in nogui mode
Davide Bau
August 27, 2009
Some keyboard shortcuts don't have command equivalents so it can be useful to run
the shortcuts from scripts. Currently the "ac" command for running shortcuts requires
the shortcut dialog to exist preventing use in nogui mode.
202.
Make vop subtract command interpolate like vop add
Elaine Meng
August 12, 2009
Should have vop subtract use interpolation like vop add. Will still
want to provide exact subtraction of identical grids without round-off
errors caused by interpolation. Probably subtract should use the grid
of the first map and not extend to cover the other maps by default.
For grids that are not identical, the maps may often come from separate
sources and a normalization will have to be done. Could have an option
to scale second map so deviation from first map is minimum (within second
map contour level?). Also may want an explicit second map scaling so
several copies can be subtracted using the same normalization. Difference
maps have rather different requirements and purposes then adding maps.
201.
Compute x-ray maps from structure factors
Michael Day, Rakesh Joshi
August 11, 2009
Want to compute x-ray maps (primarily small molecules?) from structure factors,
possibly using SHELX from Chimera. Structure factors might be in MTZ format.
Maps computed with COOT and CCP4 often have alignment problems in Chimera.
200.
Volume tracer smooth path command
Implemented shape tube command August 5, 2009
Davide Baú
August 3, 2009
Add command to make volume tracer smooth paths (curve radius, band length and segment subdivision).
199.
Scroll-wheel for flipping through volume planes
Tom Goddard
July 21, 2009
Be able to switch the mouse scroll-wheel behavior from zooming the view
to flipping through volume planes.
198.
volume command subregion options
Implemented July 28, 2009
Tom Goddard
July 21, 2009
Replace volume and vop useSubregion and useStep options with subregion and step
that can explicitly specify the subregion and step with parameters. For example,
the default would be "subregion current" and "step 1". But other possibilities
would be "subregion all", "subregion 100,100,100,120,120,120", "step 2", "step 2,2,1".
Probably keep the old options for compatibility.
197.
Make all volumes writable
Elaine Meng
July 17, 2009
Making all maps writable including those read from files will eliminate
an arbitrary and confusing restriction. Files will not be updated if the
data is modified in memory.
196.
Convert molecule model to marker set
James Conway
July 16, 2009
Could sometimes use a command that converts a molecule read from a PDB
file for example to a marker set.
195.
Replicate markers using standard symmetry groups
James Conway
July 16, 2009
Have a command that can replicate markers placed with volume tracer
using standard symmetry groups (icosahedral, cyclic, dihedral, ...).
194.
Morph Map raytraced movie
Elaine Meng
July 13, 2009
Allow morph map record button to record a raytraced or supersampled movie.
Currently there is no way to specify movie recording options.
193.
Optimize fit-in-map memory use
James Conway
July 13, 2009
Only read partial volume data when fitting molecule or map into a much
larger map that does not fit entirely in memory. Want fitting to automatically
read volume data plus some padding that bounds molecule being fit. Have to
update volume region if fit molecule moves outside of original box. Currently
you can display a volume subregion and only it will be used in the fitting.
192.
Mouse drag to change depth cue
Elaine Meng
July 10, 2009
Would like a mouse drag method to change the depth cue parameters continuously.
Currently it involves typing new numbers in the Effects panel, or moving the
clip planes which has the undesired consequence of turning on clipping.
191.
Option to send single command
Chris Lau
June 25, 2009
Want to send a single command to an already running Chimera, for example,
'chimera --run "open 1zik"' or 'chimera --run "preset apply int 2"'.
190.
Multiscale command.
Richard Marhoefer
June 17, 2009
Want to adjust transparency of multiscale surfaces and change display styles
(e.g. to ribbon) using commands for movie making. Currently no commands can
change multiscale surface color or display style.
189.
Make Gaussian filter more memory efficient.
Mikyung Han
June 17, 2009
Make Gaussian filter more memory efficient. Currently it uses numpy fft library
which only provides double precision, and can't transform in place. So 16 bytes
per voxel are required. For single byte data that is 16x bigger than the input
data. Could transform a plane at a time building 32-bit float array. This would
also permit progress messages and canceling. Other improvements would be distributing
64-bit Mac Chimera or using fftw for fourier transforms.
188.
Control grid spacing in resample command.
Jean-Paul Armache
June 10, 2009
Would like to be able to use a finer grid spacing in command
"vop #0 resample onGrid #1". Maybe add a gridSpacing option.
187.
Optimize transition transparency command.
Hernando Sosa
June 2, 2009
Changing molecule transparency with the "transition" command is very slow.
186.
Save surface selection in sessions.
Elaine Meng
May 27, 2009
Making a surface with the shape command, selecting it, saving the session,
then restoring the session produces an unselected surface.
185.
Turn/move commands on subsets of atoms.
Tatyana Fedotova
April 30, 2009
Would like to rotate a helix about a fixed pivot. Make turn and move commands
able to move only select atoms, not just whole models.
184.
Warn if volume not shown at full resolution.
Ed Egelman
April 22, 2009
Show a warning if a volume data set is opened but not shown at full resolution.
This warning could be shown just once (maybe a checkbutton option "don't show again")
to familiarize new Chimera users with the volume step size parameter.
183.
Command ` to focus next window on Mac.
Implemented for Aqua April 24, 2009
Chuck Sindelar
April 20, 2009
Make "Command `" cycle the focus through the Chimera windows on Macs. This works
in many other apps. "Shift Command `" (or Command ~) should cycle the reverse direction.
The "Command `" works in Mac X11 Chimera in Mac OS 10.5.6, but "Shift Command `" does not.
This is a (half-working) feature of Apple X11. Neither key works on Aqua Chimera.
182.
Chimera command for playing MD trajectories.
Implemented coordset April 27, 2009
Bala Subramanian
April 16, 2009
Would like a command for playing MD trajectories so that movie recording
can be done while playing two trajectories in sync.
181.
Faster transparent surface rendering.
Tom Goddard
April 15, 2009
Speed up transparent surface rendering by not resorting by depth each
redraw. If the view direction has not changed more than a certain angle
(maybe 30 degrees, experiment with value) use previous sort order.
180.
Improve surface color memory efficiency.
Xiangan Liu, James Conway
April 9, 2009
Allow per-vertex surface coloring to use 8-bit rgba component values
instead of 32-bit float to save a factor of 4 in memory use.
Bug reports #7148, #7644.
179.
64-bit Mac Chimera version.
Xiangan Liu, James Conway, and about 20 others
April 9, 2009
Want 64-bit mac chimera version for handling large volume data.
The 32-bit version generates frequent memory allocation errors
when more than about 1 Gbyte of data is opened. Current Aqua Tk is
based on the Mac Carbon toolkit which does not support 64-bit apps.
This will require switching to Aqua Tk Cocoa which I've tested with
Chimera in its current pre-alpha state -- all working except Togl.
Bug report #7148.
178.
Cubic interpolation of volume data.
Terry Lang
October 16, 2007
Allow volume values at atom positions tool to use cubic interpolation.
Currently only supports linear interpolation.
Bug report #4676.
177.
Record movies across multiple Chimera sessions.
Elaine Meng
June 18, 2007
Allow recording frame images in several Chimera
sessions and encoding a movie containing all the images.
Bug report #4064.
176.
Handle complex biological unit specifications.
Hongbo Zhu
December 7, 2004
Want Multiscale tool to handle PDB remark 350 BIOMT matrices where
different chains have different transformation matrices (e.g. 1e79).
Also want to handle cases of multiple biological units (e.g. 1gy7).
More details in bug report #1344.
175.
FFT better memory efficiency.
Benoit Zuber
April 13, 2009
An FFT of a 32-bit float map takes 8 times the memory of the original map
because it produces a complex double precision results (4x) then the absolute
value (2x), then cast to single-precision (1x), then recentering (1x). A variety
of optimizations could reduce this although using a different FFT package like
fftw would be needed to use single precision since our current numpy fft only
supports double precision.
174.
Handle complex volume data.
Benoit Zuber
April 9, 2009
Allow reading complex volume data (MRC format) for use in Fourier analysis.
173.
Measure centroids and planes.
Bala Subramanian, David Chenoweth
April 8, 2009
Allow calculating centroid of selected atoms. Allow calculating plane fitting select atoms
using least square fit, and calculating angles between planes. Could add these to the "measure"
command and provide graphical depictions (sphere for centroid, rectangle for plane). Consider
how this interacts with Eric's helix axis calculation.
172.
Allow using markers without graphical user interface.
Implemented July 29, 2009
Daniel Russel
March 26, 2009
Make volume tracer Python calls available when Chimera started in no-gui mode.
Currently volume tracer always tries to create its user interface dialog.
Want this to use markers in non-interactive scripts.
171.
Measure solvent accessible area from xray map.
Murali Ayaluru
March 26, 2009
Would like to compute the solvent accessible surface area from an x-ray map.
Normally this is done from an atomic model. Possibly the same idea of rolling
a probe sphere (modeling a water) over an xray map contour surface.
An alternative definition might consider the density within the probe sphere.
170.
Measure contact areas between surfaces.
Tom Ferrin
March 26, 2009
Want a command to determine the connected pieces in a scene containing multiple surface models.
Intersecting surfaces are considered connecting and the contact areas should be reported.
This would be used for determining when 3-d printed models would fall apart or have weak joints.
169.
Export multi-color surfaces in Wavefront OBJ format.
Damien Lariviere
March 23, 2009
Have export of wavefront obj format write out per-vertex color information.
Currently only a single color is written for each surface piece.
168.
Blend multi-wavelength volume data.
Benoit Zuber
March 16, 2009
Want to be able to blend matching planes from 2 or more volume data sets (confocal images).
Also want plane slider to control which plane is shown for multiple data sets.
167.
Mouse mode to center on atom.
Sirano Dhe-Paganon
March 16, 2009
Want a mouse mode where clicking on an atom causes centering on that atom without zooming.
166.
Set contour level for specified enclosed volume.
Andrej Sali, others
Feb 25, 2009
Command to set volume contour level to achieve a specified enclosed volume.
165.
Mouse mode to delete connected markers.
Juha Huiskonen
Feb 25, 2009
Would like a mouse mode to click on a single Chimera marker (created with volume tracer) that deletes that marker and all other markers connected by links.
164.
Make fitting move additional models.
Keren Lasker
Feb 17, 2009
When fitting one atomic model into a map, want to drag along other atomic models maintaining
their same relative orientation to the model being fit.
163.
Zone outside radius.
Jean-Paul Armache
Feb 10, 2009
Would it be possible to do an inverse zone? I mean it in the sense that instead of zoning and displaying only the density within a specified distance from the structure, display everything else.
162.
Difference map when fitting.
Paul Dreizen
Jan 6, 2009
The "Fit model to map" module in the last 2 versions allows density
maps to be constructed from atomic models. Would it be feasible to
calculate a "difference map" between the brix density map from cryoEM
data and the Chimera-constructed density map from atomic models? This
difference map might show large peaks and valleys in an overview,
which might very much help to distinguish the best among several
density fits that are structurally different but near-equivalent
numerically.
161.
Add two volumes.
Implemented July 14, 2009
Martin Kampmann
Dec 9, 2008
Improve vop command to allow adding two volumes with differing grids.
For example, "vop #0 add #1 extend true sample true multiplier 0.25".
160.
Surface cappping command.
Gabe Lander
Sept 9, 2008
Make command to turn on/off surface capping. Also to set color, style,
subdivision of caps.
159.
Handle volume series as a single data set.
Sebastian Haase
July 21, 2008
Would like volume series handled as a single data set instead of separate
data sets for each time point. Want a single histogram shown in volume
dialog which changes based on the current time being shown.
158.
Add origin parameter to
shape command.
Implemented October 17, 2008
Ed Brignole, Elaine Meng
July 17, 2008
Origin keyword argument in shape command could take 3 comma-separated numbers
or an atom spec. For numbers, might have a coords keyword to specify a model
id for local coordinates.
157.
Turn
command center of rotation argument.
Implemented October 17, 2008
Haixin Sui
July 15, 2008
Allow turn command to specify center of rotation in local coordinates
for a specified model. Also have argument to move only specified models.
Used for rotation microtubule volume about symmetry axis. Also would
need rotation axis to be in local coordinates. Could have a few new keyword
arguments similar to the mclip command. Also allow "cofr" command to specify
explicit coordinates in local or global coordinates.
156.
Volume rotation in Euler angles.
Haixin Sui
July 15, 2008
Allow volume rotation of local coordinates to be specified in Euler angles.
Currently must be specified axis vector and rotation angle.
155.
Volume origin in index units.
Implemented September 9, 2008
Haixin Sui
July 15, 2008
Allow volume data origin xyz = 0,0,0 to be specified in grid index units.
This is convenient for EM data where symmetry axis location is known.
154.
Create PDB copies covering map.
Christian
July 15, 2008
Use crystal symmetry to create copies of PDB model to cover all density
in an x-ray map.
153.
Crystal map sigma units.
Terry Lang, several others
July 15, 2008
Allow volume values to be scaled so 1 equals 1 sigma (root mean square of all
map values). Want this in volume viewer and surface color and volume command
and every place that volume values are used. So the scaling should probably
be part of the grid data object.
152.
Periodic covering map command.
Terry Lang
July 15, 2008
Make a command that creates a map covering a PDB model using a periodic
map (unit cell x-ray map). There is already a keyboard shortcut "bv" to do
this but a command would be a more familiar user interface and allow specifying
the padding value (bv makes padding 5 Angstroms).
151.
Tile newly opened models.
Partially solved with tile command August 3, 2009
Eduardo Sanz Garcia
July 3, 2008
Want option to tile newly open models by default. Also want tile border
scale saved between sessions. Used for viewing progress of single particle
reconstructions.
150.
Space Navigator on Linux.
Implemented August 17, 2009
D Greening, Thomas Margraf, others
July 14, 2008
Want space navigator support on Linux. Thomas Margraf has contributed code
to use the space navigator in Chimera on Linux. It utilize libspnav (source forge
project) and swig which would need to be included in Chimera builds.
149.
Place markers on surfaces.
Implemented June 4, 2009
Daniel Hautzinger
July 11, 2008
Place markers on a surface. Wanted for AFM data. This case actually
probably better handled by existing capability to place on data planes.
But other applications could use placement on surfaces such as highlighting
features on membranes seen in tomograms.
148.
Pipes and planks coloring.
Gary Ren
June 26, 2008
Allow selection and coloring of individual helices, strands, turns in pipes
and planks model. Could be implemented by using a SurfaceModel instead of
VRMLModel. Requested for showing low resolution model in EM map.
147.
Calculate difference map.
Implemented June 18, 2008
Jean-Paul Armache
June 2, 2008
Want to subtract two maps that have identical grids. Could be added to
"vop" command.
146.
Add torus to shape command.
Pradeep Pallan
May 12, 2008
Want to show a circle to indicate size of a molecular structure.
145.
Don't include hidden surface in area/volume.
Ed Brignole
May 12, 2008
Make the measure area/volume dialog include only the displayed surface.
So if the hidedust.py script hides some surface components, they will not
be included in the reported values.
144.
Report area/volume in volume dialog.
Ed Brignole
May 12, 2008
I have a request for display of the measure volume area tool - can it
be moved from "tools" to "features" such that it is displayed in the
volume viewer along with color, voxel size, etc. The problem I have
is that frequently I have 30 or so volumes to open at once and then
need to independently go through them and set density thresholds.
It's really a pain to have to select the volume once in the volume
viewer and then again select the same volume in the measure tool then
go back to the viewer and adjust threshold. After doing this 30
times, you'll find that most of the effort is spent making sure to
select the same volume in both menus so that the selected volume that
you are adjusting is the same volume being measured.
143.
Command for running keyboard shortcuts.
Implemented ac command April 8, 2008
Jean-Didier Marechal.
March 27, 2008
Would like a command for running a keyboard shortcut. Makes shortcut
capabilities easily accessible from a script. Could extend "ac" command.
142.
Enable shortcuts for volume eraser.
Weimin Wu.
March 26, 2008
The volume eraser dialog says to use shortcut "es" to erase but shortcuts
are not enabled by default and it is not clear how to enable them. Might
put an "enable shortcuts" button on dialog or enable them automatically
when dialog is shown.
141.
Optimize volume grid spacing to best fit a molecule.
Stefan Backstrom.
March 26, 2008
Would it be possible to optimize the a/pix, or scale value when one
is fitting either a map in map, or model in map ? Often it seems as
if the scale is not 100 % correct between a crystal structure and a
cryo-EM reconstructinon, and it would be nice to be able to choose to
fit the scale of the EM-map at the same time as the fit rotation and
translation.
140.
Fit molecules in map avoiding steric clashes.
Andrea Rossi.
March 13, 2008
In low density map, place one molecule and locally optimize the fit another
without causing clashes with those already placed.
139.
Volume eraser undo.
Htet Khant.
March 11, 2008
Undo button on volume eraser dialog to avoid having to save map frequently.
138.
Add per-model clip command "frames" argument.
Eric Pettersen.
February 22, 2008
The mclip command could use a "frames" argument, for moving the plane
smoothly during an animation. Tom G notes: A frames argument for
mclip would be neat. Hard to do it right I think. If you just turned
on clipping for the first time with frames 10, you might reasonably
expect to see the model progressively clipped along the specified
axis. Likewise if you enabled slab with frames = 10 something neato
and applesque might happen. Of course I could go the easy road and
make the on/off transitions happen in the first frame. And then there
is the vanilla change of axis (clip plane rotates), change of origin
(plane translates), change of slab thickness -- easy part I think.
Elaine notes: You could accomplish such a transition with
savepos/reset now that "positions" include per-model clipping planes.
However, it requires more planning ahead and saving a session for
later reproducibility...
137.
Two per-model clip planes for wedges.
Tom Goddard.
February 14, 2008
Would be useful to have two or more (as supported by hardware) per-model clip
planes for showing wedges of volumes. Needed for nuclear pore with wedge
cut out.
136.
Less sensitive solid volume brightness / transparency.
Implemented February 15, 2008
Jeff Triffo.
February 14, 2008
Solid rendering transparency greatly changes appearance with histogram
node height change of 0.99 to 1.00. Need new definition of transparency
factor to make this less sensitive.
135.
Angle dependent transparency.
Implemented glossy lighting December 30, 2008
Andrew Jewett.
February 14, 2008
Scale surface opacity for oblique viewing angles.
(1-alpha) <- (1-alpha)**(1/|cos(theta)|). Tried this with opacity.py
script for current viewing angle. Very nice darkening of edges.
Could be implemented as an opengl shader.
134.
Output volume solid brightness curve.
Jeff Triffo.
February 14, 2008
Output volume transfer function (yellow curve on volume dialog histogram)
numeric values for node heights so they can be reused on other volume data
sets using the volume command. Basic need is to apply transfer function from
one map to another.
133.
Color by atom on surface caps.
Elaine Meng.
February 14, 2008
Colors surface caps of molecular surfaces by nearby atom colors.
132.
Make capping on by default for per-model clip planes.
Implemented November 4, 2008
Tom Goddard.
February 8, 2008
Would like to have capping of clipped surfaces on by default. Trouble is
that rotations of models can be slow since intersection with near clip plane
has to be constantly recomputed even when no clipping is happening. This
should not be a problem with per-model clip planes, so capping could be
enabled by default in that case. Would want the capping option to appear
in the per-model clipping dialog. Perhaps have a capping options button
too to control subdivision, cap color, ....
131.
Different colors for surface inside and outside.
Ian Yarbrough.
February 4, 2008
Allow surfaces to have different colors on their two sides. Main
difficulty is in providing a user interface. OpenGL supports coloring
the sides of surfaces differently.
130.
Make crytal map and PDB model coincide.
Implemented Nov 20, 2007. Keyboard shortcut "bv" creates covering map.
Trevor Sewell, Terry Lang.
February 4, 2008
Programs O and Coot will move a crystallographic unit cell map to cover
a displayed PDB model (or selected atoms). Coot can also wrap the map
if the model straddled the unit cell map boundary. These behaviors are
automatic in those crystallography programs. Should allow Chimera to do
this in an easy way. Another option is to move the PDB by unit cell
translations into the map. Worth supporting both methods.
129.
Read brix maps as 8-bit values.
Thomas Becker.
February 4, 2008
Have an option to load brix maps as 8-bit values without applying the
shift and scale factors in the header that produce 32-bit float values.
This would save a factor of 4 in memory use and is how Chimera behaved
prior to version 1.2470.
128.
Surface transparency with color zone.
James Fethiere.
January 30, 2008
Its currently cumbersome to make a color zone colored surface transparent.
Atoms or markers must be given a transparent color. Some overall transparency
control (as done with molecular surfaces with the Actions / Surface /
Transparency menu entry) would be useful. The Action menu entry for
surface transparency has no effect when the Surface Color dialog is coloring
the surface (e.g. by electrostatics). This is confusing.
127.
Label unit cell axes and show cell offset.
Dirk Kostrewa.
January 30, 2008
Have the outline box created by the unit cell dialog indicate the a,b,c axes
and origin. Maybe color those 3 edges from the origin red, green and blue.
Also indicate how much the shown outline is shifted, e.g. origin (A,0,0) or
(A,2B,-C) or (0,0,0).
126.
Place markers on any visible volume.
C Akey.
January 25, 2008
Make volume path tracer place markers on any visible volume instead of just
the one highlighted in the volume dialog. The current behaviour is especially
annoying when the highlighted volume is undisplayed.
125.
RGB TIFF image file reader.
Sebastian Haase.
January 23, 2008
Read RGB tiff image files as 3 scalar volume data sets.
124.
Extend map using symmetry.
Francesco Zonta.
January 18, 2008
Would like to be able to replicate a map containing a crystallographic
asymmetric unit using space group symmetries and unit cell translations to
cover a larger region. The program Coot does
this.
In Chimera could add a command that builds a new map covering a specified
block of unit cells from the asymmetric unit map. Would be nice to support
this for EM single particle reconstructions also, for example, building full
icosahedral map from a partial map and symmetry operators.
123.
Color using MolMol electrostatic potential.
Esther Bullitt.
January 16, 2008
Read MolMol electrostatic potential grid data for coloring molecular
surfaces. Format is very simple and is described in MolMol ReadPot manual
page.
122.
Multi-page TIFF image file reader.
Implemented January 22, 2008
Sebastian Haase.
January 15, 2008
Read multipage tiff image files as volume data. Sebastian provided example
Python code for reading such files.
121.
Correlation for fitting model in map.
Implemented February 21, 2008
C Akey.
January 14, 2008
Use cross-correlation coefficient to fit atomic model in map. Will require
making simulated map at target map resolution.
120.
Area/volume command.
Implemented January 7, 2009
Zhiya Sheng.
December 26, 2007
Make a command for reporting surface area and enclosed volume.
119.
Crystal lattice command.
Jack Johnson.
December 20, 2007
Make a command to create copies of atomic models to fill a crystal lattice.
118.
Icoshedron mesh command.
Implemented January 24, 2008
(shape command).
Jack Johnson.
December 20, 2007
Make a command equivalent to the icosahedron surface tool.
117.
Hide all models button.
Eduardo Sanz Garcia.
November 26, 2007
Make clicking on "Shown" heading in Model Panel hide all models.
Possibly hide all if all are shown, show all if some or all are hidden.
116.
Easy hiding of all but one volume.
Eduardo Sanz Garcia.
November 26, 2007
Might make right click on show/hide oval above histogram hide all other
volumes and show this one (when initially in hidden state). This makes
it easy to look at just one volume.
115.
Scrollbar for volume histogram panels.
Eduardo Sanz Garcia.
November 26, 2007
Would like a vertical scrollbar to control which volume histograms are shown
when there are more than the maximum number of histograms (default 3).
Scrollbar could offer just discrete positions so you would never see half of
a histogram. For high speed with many volumes open the out of view
histograms would not be created until visible. Implementation would probably
just reuse the existing 3 canvas widgets. Volume names could update
immediately while histogram redisplay is displayed to allow very fast
scrolling. Scrollbar should only appear when additional volumes are
present. With scrollbar, might keep order of volume data sets fixed,
instead of the current somewhat confusing scheme where the least recently
active volume histogram disappears when a new volume is chosen from the
Data menu.
114.
Save color palettes.
Jeff Triffo.
November 26, 2007
Want to save color editor colors that are place at the bottom of the
dialog. These are normally saved in the Chimera preferences file. Would
like to save them and load them from a different file.
113.
Animation extracting octant from virus density.
Yen-Chywan Liaw.
November 15, 2007
Wants to be able to extract an octant from a virus map. Both pieces
remain visible as the octant moves radially out and is rotated to see
layered structure.
112.
Animation where ligand flies into bound state.
See 2008 and 2009 movie making tutorials
Yen-Chywan Liaw.
November 15, 2007
Have receptor crystal structures with and witout ligand. Want to be able
to make a movie that starts with unbound receptor and distant ligand and
has ligand move into receptor which simultaneously morphs to bound receptor
conformation.
111.
Want easy way to morph both volume and pdb model.
Haixin Sui, Yen-Chywan Liaw.
November 15, 2007
The morph map and morph conformations tools can morph density maps and atomic
models. But it is challenging to play both morphs in sync for making an
animation. Want it to be simple to morph both, where the atomic models have
been fit into starting and ending volume data sets.
110.
Reverse order of colors in
surface color tool.
Implemented April 17, 2008.
Yen-Chywan Liaw.
November 15, 2007
Would like a button to reverse the order of colors in the surface color
tool, for instance, to get blue->red instead of red->blue.
109.
Make POVray appearance better match Chimera window.
Implemented 2009 in Chimera 1.4
Ed Egelman, others.
November 15, 2007
Raytraced transparent volume surface images with povray have very different
transparency and brightness than what is seen in the Chimera window. Since
raytracing with transparency is extremely slow, it is difficult to test many
combinations to get the desired appearance.
108.
Set contour levels for multiple volumes at once in GUI.
Steve Ludtke.
November 15, 2007
Want to set the same contour level for several volumes (single particle
reconstructions). Told Steve about new volume command that can do this.
Would be nice to have a way to do this in graphical user interface.
107.
Set morph map contour level to preserve enclosed volume.
Pawel Penzcek.
November 15, 2007
Add option to preserve enclosed volume when using morph map. Volume series
tool already has this so some code is already available.
106.
Read PRIISM format volume files with WZT disk layout.
Implemented June 3, 2008.
Sebastian Haase.
November 15, 2007
The current Chimera priism file reader only handles ZWT order (Z = z planes,
W = wavelengths, T = times) and refuses to read other orders. Sebastian
wants it to read WZT order. This is for multiwavelength light microscopy.
105.
Command to print relative model orientation.
Implemented measure rotation command January 7, 2009
Duncan Sousa.
November 13, 2007
Add command to print relative model orientation: rotation angle, axis, shift.
Might support alternate formats like rotation matrix / shift.
104.
Cubic volume interpolation.
Terry Lang.
October 23, 2007
Add cubic volume interpolation at points as alternative to trilinear
interpolation. Want this for searching for alternate side-chain
conformations in x-ray maps.
103.
Fit using correlation.
Alexander Solodukhin.
October 1, 2007
Fit map in map using correlation instead of overlap so that fit is not
simply pushed to high density region with poorly matching shape.
102.
Thick surfaces.
Jeff Triffo.
September 19, 2007
Allow making surface have finite thickness for showing membranes.
Would probably start with IMOD surface. Would be relatively easy to duplicate
surface moved along surface normals, and create an edge band connecting the
two surfaces. More work to be able to delete thick surface, save it, or
change its thickness.
101.
IMOD session saving.
Jeff Triffo, Huy Bui.
August 20, 2007
Want IMOD surfaces that have been recolored in Chimera saved in
session files. Huy wants unmodified IMOD models saved in sessions.
100.
IMAGIC-5 volume file reader.
Michael Schatz.
July 13, 2007
Write volume file reader for the em2em native IMAGIC-5 file format.
99.
Nintendo Wii controller for volume fly-through.
Tested with DarwiinRemote September 27, 2007
Dan Greenblatt.
July 10, 2007
Interface the Nintendo Wii controller (6 degree of freedom, accelerometers and
infrared pointing direction using base station emitter), wireless,
bluetooth, $40, as a Chimera input device.
98.
Contour surface, include box boundaries.
Implemented October 9, 2007
Tom Goddard.
July 3, 2007
Cover holes left when contour surface extends to boundary of volume.
Have contour calculation add surfaces coincident with faces of volume
box where needed. This will give the contour surface a solid appearance
and allow capping slices without encountering open boundary loops.
97.
Volume fly-through controls.
Implemented Space Navigator shortcut nf February 2, 2008
Manfred Auer.
July 2, 2007
Allow fly through navigation controls for EM tomography data.
Could use game controller input device.
96.
Better error message when volume data too large.
Done August 23, 2007
Irina Serysheva, Matt Dougherty.
June 28, 2007
Provide a simple error message instead of a Python traceback when
the memory allocation fails in reading a large volume array.
95.
Color IMOD surfaces with Actions/Color menu.
Done May 13, 2008
Jeff Triffo.
June 28, 2007
Would like to be able to color selected IMOD surfaces with the Actions / Color
menu. Can use "co" keyboard shortcut currently.
94.
Help buttons on volume viewer panels.
Elaine Meng.
June 4, 2007
Want "?" buttons next to the "x" buttons on volume viewer panels that show
the appropriate subsection of the volume viewer user's guide page.
93.
Simplify volume data Python calls.
Many improvements August 23, 2007
Gabor Papai.
May 24, 2007
Want simpler python calls to open maps and perform common actions.
I wrote a script for Gabor to fit a map in another map (fitnogui.py)
that is 70 lines, seems longer than should be necessary.
92.
Make multiscale tool work when atoms deleted.
Implemented October 25, 2008.
Andy LiWang.
May 24, 2007
Make multiscale tool not raise errors when atoms are deleted with
Actions/Atoms+Bonds/delete after multiscale model created. Chimera
but report 3915 and 3490.
91.
Save image without Chimera window shown.
Jawahar Swaminathan (MSD).
May 24, 2007
Want to save Chimera images in nogui mode (no Chimera window shown)
to make virus capsid images for Macromolecular Structure Database.
90.
Display 2-d contour lines on clipped volume surfaces.
Implemented September 9, 2008
Yao Cong.
May 22, 2007
Display 2-d contours on clipped volume contour surfaces. A prototype
could probably be implemented in less than a day. Interpolate the map on
the clip plane on a rectangular grid. Rectangle determined by bounds of
plane intersection points with volume box edges. Sample at perhaps half
of minimum volume grid spacing. Make a 3-d map with 2 planes with same
interpolated data, contour with 3-d contouring code, and display as surface
band as mesh with only one band edge shown. Combine multiple 2-d contour
levels in a new surface model.
Simpler approach implemented. When displaying a single xy, xz or yz volume plane (e.g. using the volume planes panel) with mesh style and options "cap high values at box faces" off and "mesh lighting" off, get 2-d contour lines for that data plane. Can add more contour levels using ctrl-click on volume dialog histogram. Can show plane together with 3-d data by duplicating the volume data set (volume dialog File / Duplicate) and using the region bounds panel to limit the part of the 3-d data displayed.
89.
Make experimental plugins check Chimera version compatibility.
Eric Pettersen.
May 22, 2007
We've received 5-10 bug reports from people using plugins from the
experimental features web page with versions of Chimera older than
that requires as listed on the download page. Would help if each
plugin did a check when it is invoked to see that a sufficiently recent
Chimera is being used, and warn if version is older than required.
88.
Show map standard deviation.
Menu entry to print mean/SD values October 10, 2007
Holland Cheng.
May 5, 2007
Indicate map mean and standard deviation using tick marks on volume dialog
histogram. Also have option to show map values in standard deviations from
mean. Mean and standard deviation would be computed for entire volume even
though extra padding around the structure will effect computed values.
87.
Raw map file reader.
Request at UC Davis bay area cryoEM meeting.
May 5, 2007
Allow reading "raw" maps -- file containing 3-d array of numbers.
User will specify
grid size and data value type (float32, int16, uint8) when file is read.
86.
Amira segmentation file reader.
Request at UC Davis bay area cryoEM meeting.
May 5, 2007
Add file reader for Amira segementation files.
85.
Fetch PDB biounit files.
Tom Goddard
April 23, 2007
Add fetch by id for PDB biounit files.
84.
Thicker silhouette edges.
Done July 28, 2007
Tom Goddard
April 20, 2007
Provide user interface to control thickness of silhouette edges.
Often want thicker edges. Can achieve this now by a trick -- making the
screen image very small and specifying a much larger size in the Save Image
dialog. The
clathrin image gallery entry
illustrates a case where the thicker edges are desirable.
83.
Warn about ambiguous transforms.
Preethi Chandramouli, Tom Goddard
April 19, 2007
When a new model is opened in Chimera and is given an initial transform
equal to that of the model with the lowest id number, and other models have
differing transforms, warn about this in a status line message. For example:
"1grl.pdb transformed as groel.mrc". Many users are confused when
misalignments occur because of this "match the lowest id number" rule.
That rule is not intuitive.
82.
2-d overlays and labels on molecular surfaces.
Tom Goddard
April 18, 2007
Add ability to draw residue outlines and residue text labels on molecular
surfaces as illustrated in
-
Xiao C, Rossmann MG.
Interpretation of electron density with stereographic roadmap projections.
J Struct Biol. 2006 Oct 24; [Epub ahead of print]
81.
Calculate density map for molecule.
Implemented January 14, 2008.
Thomas Marlovits
April 17, 2007
Add tool to calculate a density map from a molecule (PDB) model.
This already exists in the AIRS / EMAN Chimera extensions (called PDB to MRC)
but it requires installing EMAN. Would like the capability available in
standard Chimera distribution. Would be useful for fitting molecules into
maps using the fit-map-in-map tool.
80.
Trace protein backbone.
Matthew Baker
April 12, 2007
Want to position markers corresponding to CA atoms within 4-8 A density
maps. Matt does this with crystallography program COOT right now and it
is very tedious. Needed features: display distances to previous and next
CA, display distances to nearby CA within 4A, move CA to density maximum,
move range of markers for alpha helix to best fit in density. Distances
update in real time, moves can be undone. Matt would refine python code
given an initial prototype.
79.
Multiple graphics windows.
Xiaoyun Chen
April 12, 2007
Want separate graphics windows for three orthogonal views: xy, yz and xz.
78.
Path tracer markers.
Implemented June, 2009
Eric Pettersen
April 12, 2007
Put each path tracer marker in a separate residue to allow commands that use
residue numbers to handle consecutive series of markers.
77.
Path tracer marker attributes.
Jeff Triffo
April 12, 2007
Want to be able to define attributes of volume path tracer markers,
such as, "is_filament=True", "filament_number=1", "branch_point=False",
... for structures traced in electron tomography data. These should
be saved in session files and marker XML files. Want to make selections
based on attribute values. Should interoperate
with the existing atom attribute commands setattr, defattr, calcattr,
the Render/Select by Attribute tool, attribute atom specifications
(e.g. "@/bfactor>=50"). Marker xml file read/write currently preserves
unknown marker, link and marker set tags.
76.
Fetch EMDB maps.
Done Marc 11, 2009
Cathy Lawson
April 12, 2007
Add fetch by id for EMDB maps. Would want fetch in background with progress
dialog and cancel button and save to a user-specified fetch directory to
avoid repeated fetching of large maps.
75.
Fetch PQS biological assemblies.
Implemented April 27, 2007
Miguel Ortiz Lombardia
April 12, 2007
Add PQS biological assembly files (*.mmol) to fetch by id.
74.
Volume rendering size limit.
Tom Goddard
April 12, 2007
Solid rendering 2-d em micrograph of size 2916x4374 showed white rectangle at
full resolution on Intel Mac laptop, mac os 10.4.9 I think due to OpenGL
texture size limit. Warn user about this.
73.
Color surface pieces.
Anindito Sen
April 12, 2007
Make pick surface pieces surface coloring save in session files.
72.
Biological assemblies in mmcif.
Cathy Lawson
April 12, 2007
Make multiscale use assembly info from mmcif file for viruses.
mmCIF version 3 files for virus structures have pdbx_struct_assembly records
such as 'complete icosahedral assembly', 'icosahedral asymmetric unit',
icosahedral pentamer', 'icosahedral 23 hexamer', 'icosahedral asymmetric
unit, std point frame', 'crystal asymmetric unit, crystal frame'. A new notation
for the symmetry was introduce in summer 2008 that may be more machine readable.
71.
Reoriented density maps.
Done for MRC and HDF formats September 4, 2007
Tom Goddard
April 12, 2007
Include rotation in written map header when resampled piece of volume
extracted with addmaps command.
70.
Subsample volume data, netcdf.
Done with HDF, netcdf deprecated September 11, 2007
Matt Baker
April 12, 2007
Make netcdf writer automatically save subsampled versions of map in file down
to size about 1 Mvoxels. Will want to save plane by plane so that file
larger than what will fit in memory can be opened and saved.
69.
HDF map file reader.
Done August 7, 2007
Matt Dougherty, Pawel Penczek
April 12, 2007
Put HDF file reader in Chimera. Support netcdf type header fields for voxel
size and origin, .... Support subsampled matrices in same file. Try this
with PyTables Python wrapper of HDF. Add support for reading SPARX format
hdf volume data. Tried this 3/21/2007 and found EMAN 3-d array layout
backwards. Steve Ludtke is fixing.
68.
Radial density plot.
Made radial density calculation script March 2, 2007
Padma Natarajan
April 12, 2007
Incorporate radial average density plot for virus em maps into viper image
creation script for making radial plots for VIPER web site. Could export
text file (radius, ave density) to gnuplot. Would like to be able to
display radial density plots in Chimera. Tried matplotlib which makes
nice plots (with SVG, PNG, PS ... export). Mac installation ~80 Mbytes.
67.
Setting figure magnification.
Christopher Akey
April 12, 2007
Add resetscale command that only restores camera scale to value saved in
session file (or 1.0 with no session value). Used for achieving standard
magnification in multiple related figures.
66.
Save BRIX format.
Added BRIX writer October 19, 2007
Christopher Akey
April 12, 2007
Write maps in BRIX format. This is for interoperation with O for building
models in EM maps.
65.
User-defined surfaces.
Implemented January 30, 2008.
Jeff Triffo
April 12, 2007
Create surface from volume path tracer markers. Used for electron tomography
annotation.
64.
Save more EM map file formats.
Christos Gatsogiannis
April 12, 2007
Write additional volume file formats (situs, imagic).
63.
Arrows on morphed maps.
Tom Goddard
April 12, 2007
Make 3-d arrows at morph map surface points of maximum change.
Implementation: Look at
difference of end-point maps interpolated on surface and smoothed over
surface, find extrema, and place BILD arrows, maybe in separate models
for easy undisplay of individual arrows.
62.
Volume viewer code clean-up.
Done August 9, 2007
Tom Goddard
April 12, 2007
Simplify volume viewer code by using Checkbutton_Entries from Hybrid.py.
61.
Benchmark scores.
Implemented May 2, 2008.
Tom Goddard
April 12, 2007
Change benchmark code to display models and include the Chimera event loop
-- ie use actual timings. Current surface scores are vastly inflated due
to graphics driver optimizations that shortcut rendering when no screen
display occurs.
60.
Color zone slider range.
Implemented October 3, 2007.
Jeff Triffo
April 12, 2007
Make color zone set the maximum slider value based on the diameter of the
displayed surface.
59.
Copying volume display settings.
Jeff Triffo
April 12, 2007
Provide way to copy volume settings (thresholds, colors, styles, brightness,
transparency, rendering options) from one volume to another, for example,
from a volume to an externally filtered version of that volume.
58.
Projecting volume data.
Jeff Triffo, Ana Luiza
April 12, 2007
Allow averaging together neighboring planes in em tomography when displaying
a single slice to improve signal to noise. This can be faked by displaying multiple
planes in solid style and using orthographic rendering to project the stack.
Add a "project" operation to vop command that takes a projection axis and produces
a 2-d map (z grid size is 1).
57.
Slicing EM maps.
Resample volume added September 4, 2007
Jeff Triffo
April 12, 2007
Allow plane slicing of em tomography at arbitrary angles.
Karin Gross and Christoph Best at Max Planck Institute for Biochemistry
have written a Chimera extension to do this.
Web site.
56.
Volume zones, solid rendering.
Jeff Triffo
April 12, 2007
Make volume zones work in solid display mode.
55.
Save marker sets relative to models.
Heather McCune
April 12, 2007
Allow writing marker set XML positions relative to volume data coordinates.
Change save marker set dialog to offer "relative to" choice like Save PDB
dialog. Also allow choosing which marker sets to write. Simplest approach
might be to copy ModelPanel/writePDBdialog.py and modify it.
54.
Volume rendering memory use.
Implemented September 6, 2008.
Tom Goddard
April 12, 2007
Make solid rendering using 8 bit int rgba instead of float to handle larger
volume sizes and increase speed. Default mode is currently to use 256 color
colormap. So memory savings may be only for non-default settings.
53.
Clip plane motion user interface.
Jeff Triffo
April 12, 2007
Make buttons and sliders to control perpendicular axis and translation of
per-model clip planes for volume data.
52.
Update graphics driver bugs web page.
Done about once a year, May 2009
Tom Goddard
April 12, 2007
Search closed chimera bugs for graphics driver issues and add them to the
graphics driver bug page.
51.
Crystal contacting chains.
Partially done October 10, 2007
(crystal contacts tool).
Miguel Ortiz-Lombardia
April 12, 2007
Create all crystal chains within a given radius of an asymmetric unit.
Allow loading just contacting
chains rather than full asym units. Allow moving contacting units
radially to show contacts.
50.
Atomic force microscope file reader.
Alberto Roca
April 12, 2007
Put nanoscope AFM tools on experimental features page. Will need
documentation.
49.
Unit cell outline box.
Meshmol command can serve October 10, 2007
Sabuj Pattanayek
April 12, 2007
Add unit cell outline box color and line thickness controls to Unit Cell
dialog.
48.
Contouring optimization.
New optimized algorithm October 2, 2007
Tom Goddard
April 12, 2007
Check if _contour speed changes much with -O3 compilation versus the current
default of -O.
Benchmark contour calculation at various ratios of triangle count to voxel
count. I've only optimized for the low ratio scenario. May be that the
high ratio case can be sped up significantly. Could use radial decaying
sine curve and a range of thresholds.
47.
Volume subsample voxel origin.
Tom Goddard
April 12, 2007
Fix precomputed volume subsample handling so that the subsample can be
either at the corner or middle of the cell. The middle is appropriate
if the subsamples represent average/max/median cell values, while the
corner is correct if the sample is the value at the corner. Should allow
arbitrary offsets to support saving subregions with subsamples.
46.
Multiple volume dialogs.
Multiple volume histograms added August 10, 2007
Basal Devkota
April 12, 2007
Allow two or more volume viewer dialogs for adjusting multiple maps easily.
45.
XYZ axis display.
Jeff Triffo, Haixin Sui
April 12, 2007
Add a tool to make axes arrows using BILD, ala VMD to indicate orientation.
44.
Better multiscale surface quality.
Tom Goddard
April 12, 2007
Allow multiscale surfaces to be higher quality by binning at a finer scale
and distributing each atom over several nearby bins maybe with gaussian
fall-off. This could use molmap command.
43.
Reading large maps.
Done July 31, 2007
Irina Serysheva
April 12, 2007
Make volume subsampling not allocate unsubsampled array when reading from
file. Limits reading of large data sets.
42.
Collaboration descriptions.
EMDB added 2009
Tom Goddard
April 12, 2007
Add VIPERdb and EMDB collaboration web pages to CGL Research index.
41.
Measure enclosed volume.
Added keyboard shortcuts mv and ma September 29, 2006
Tom Goddard
April 12, 2007
Add option to measure volume/area to only measure selected surfaces.
Measure command does this (Jan 2009).
40.
Icosahedron surface session saving.
Added December 5, 2008
Tom Goddard
April 12, 2007
Add session saving to icosahedron tool.
39.
IMOD file reader.
Added to distribution October 5, 2007
Masako Terada
April 12, 2007
Put IMOD segmentation surface file reader in Chimera distribution.
38.
Image sequence file reader.
Added TIFF stack reader July 21, 2007
William Beaver
April 12, 2007
Add image sequence (tiff, pnm) volume file reader.
37.
Color zone with multiple radii.
Hernando Sosa, Xiaofeng
April 12, 2007
Consider allowing sequences of colorings in color zone. Would allow using
multiple radii. Also greater flexibility in coloring.
36.
Make chains become separate molecules.
Added to distribution October 10, 2007
Elaine Meng
April 12, 2007
Add split molecule command to Chimera distribution. Makes each chain a
separate molecule. Currently on experimental features web page.
split.
35.
Delphi Controller surface coloring.
Implemented April 25, 2007.
Elaine Meng
April 12, 2007
Make DelphiController show potential on MSMS surface with Surface Color tool.
Currently potential is shown with volume viewer.
34.
Print map values.
Nihshanka Debroy
April 12, 2007
Allow clicking on a surface to print volume value at the corresponding surface
point, for example electrostatic potential.
33.
Surface coloring key.
Implemented July 15, 2008.
Alexander Rusnak
April 12, 2007
Add color key to surface color tool using surface strip.
32.
Movie recorder format compatibility.
Powerpoint movie fixes documented March 2, 2007
Tom Goddard
April 12, 2007
Investigate usability of Movie Recorder output formats on all common platforms
Windows, Mac, Linux. See which work on stock operating system installations,
which require codec downloads, which movie players will work, and which
won't work without extreme effort.
31.
Switching volume dialog volume.
Jean-Francois Menetret
April 12, 2007
Have volume viewer automatically switch to show most recently displayed
volume (switched perhaps in Model Panel) in volume dialog.
30.
Volume commands for movies.
Frank Albers, Jeff Triffo
April 12, 2007
Want volume commands for making animations. Wants color fades.
Want per-model clip plane transitions.
29.
Volume bit masks.
Tom Goddard
April 12, 2007
Have bit mask with 32 bits per density map voxel, each bit representing
different masks. Could for example make masks from feature analysis tool
that finds cylinders, spheres, planes, ....
28.
Mask volume with cylinder.
Implemented October 17, 2007
(mask
and
shape
commands).
Haixin Sui
April 12, 2007
Masking density to cylinders, masking with an external mask file.
Used for cylindrical virus particles.
27.
Fit selected atoms in map.
Several users
April 12, 2007
Add option to fit model in map tool to move only selected atoms.
26.
Buried surface area.
Added measure command January 2009
Tom Goddard
April 12, 2007
Tool to report buried surface areas between two chains, between 1 chain and
all contacting chains, or between all pairs of contacting chains.
25.
Multiscale chain coloring.
Tom Goddard
April 12, 2007
Add color by sequence and extend selection to same sequence to multiscale.
Might provide a sequence of colorwells for colors to use in color-by-chain-id
and color-by-sequence. Currently have xc keyboard shortcut to extend
multiscale selection to chains with identical sequences.
24.
Electrostatic potential coloring.
Similar fix made May 6, 2008.
Elaine Meng
April 12, 2007
Make Electrostatic Surface Coloring menu entry prompt for potential file as
soon as it is started. Otherwise user thinks they can just press Color and
Chimera will compute the electrostatics.
23.
MSMS surface calculation with stand-alone program.
Implemented March 18, 2008.
Tom Goddard
April 12, 2007
Check if msms standalone program crashes in any cases where library crashes.
Look at program source code to see if library can be configured to use
same settings if it is more reliable.
22.
Surface model selection inspector.
Implemented January 8, 2008.
Tom Goddard
April 12, 2007
Make attribute inspector for surface models (volume, multiscale, ...)
allow changing between mesh/filled, Have it report number of surface triangles.
21.
Surface model, C++ to Python.
Tom Goddard
April 12, 2007
Convert surface model (_surface.Surface_Model) to Python leaving just speed
critical rendering in C++. Will allow easier addition of new surface
capabilities, and move alot of non-speed critical C++ code to easier to
maintain Python code. Incorporate geometry changed callbacks in new model.
20.
Distribute Python modules separate from Chimera.
Tom Goddard
April 12, 2007
Package contouring, capping and other independent volume tools as separate
python modules and distribute separately on web.
19.
Splitting volumes.
Tom Goddard
April 12, 2007
Make tools for slicing volume along a plane and enable moving of resulting
two pieces. Might move them apart some as soon as sliced. Make them
selectable and allow move selection mouse mode to work on them. Want slice
undo, or maybe rejoin command. To find place of desired cut might want
to split open and then be able to move split point interactively.
18.
Mask map to icosahedron.
Mask command October 17, 2007
Wen Jiang, Gabe Lander
April 12, 2007
Mask volume to within icosahedron tool surface. Used for virus maps.
17.
Masking within any surface.
Mask command October 17, 2007
Tom Goddard
April 12, 2007
Zero volume outside an arbitrary surface. Or clip and cap a surface against
a second closed surface. Use for icosahedral sphere clipping of virus maps.
16.
Volume solid rendering improvements.
New transparency blending August 2, 2007
Sebastian Haase
April 12, 2007
Normalize brightness so it does not vary with step size.
Add plane interpolation gui for higher quality rendering.
15.
Feature tracking in volume time series.
John Sedat
April 12, 2007
Track many markers on chromosomes in volume time series.
Maybe look at minimal mass motion interpolation.
14.
Determine map symmetries.
Fit map prints rotation axis/angle/shift February 28, 2007
Tom Goddard
April 12, 2007
Use map fit to itself to interactively determine map symmetries.
Those symmetries could be used in multiscale or with symcopies command
to make multimers from a PDB monomer.
13.
EMDB / PDB fitting.
Fetch EMDB maps and fit PDBs March 11, 2009
Richard Newman, Cathy Lawson
April 12, 2007
Find correct alignments of all PDB models fit in EMDB maps and have EMDB
provide the transformation matrices in their XML meta data files to display
those alignments. Allow Chimera to fetch models and maps using XML meta
data file and show fit.
12.
Record model motions.
Gali Golan
April 12, 2007
Make a trajectory recorder for models and pieces of models for movie making.
11.
Put old plugins on web.
Volume stats distributed October 3, 2007
Tom Goddard
April 12, 2007
Add to experimental features page: volume statistics, export obj, and
nanoscope file reader. Export OBJ included in File / Export Scene (2008).
10.
Chimera web page for electron microscopy.
Volume guide created 2007
Tom Goddard
April 12, 2007
Make Chimera EM home page with links to EM features, examples, tutorials.
9.
APBS documentation.
Tom Goddard
April 12, 2007
Write howto for computing electrostatic potential with APBS.
8.
Surface cap triangulation.
Tom Goddard
April 12, 2007
Make regular hexagonal triangulation of surface caps with stitching of boundary.
Provide better quality per-vertex cap coloring.
Avoid triangulation artifacts seen capping Heather McCunes chromosome em map.
This may be algorithmically too difficult.
7.
Surface smoothing.
Fixed by using gradient normals, October 6, 2007
Tom Goddard, Steve Ludtke
April 12, 2007
Find smoothing algorithm to eliminate surface smoothing pimples seen in
volume contour surfaces and multiscale surfaces.
6.
Defining multiscale hierarchy.
Tom Goddard
April 12, 2007
Add basic grouping / ungrouping capabilities to multiscale. Allow surfacing
groups. Would like to be able to divide 23S rRNA single chain into multiple
pieces. Want to be able to group pentamers of virus capsid as single pieces.
5.
Surface display optimization.
Implemented June 6, 2008.
Tom Goddard
April 12, 2007
Try opengl vertex buffer objects for surface models to see if it is faster
for first time display than display list compilation. Tests show display
list compilation take 10-100x longer than single direct rendering pass.
VBO should be as fast as direct rendering for first draw, and as fast as
display list for subsequent redraws.
4.
Ellipsoid molecule display.
Measure inertia command Implemented July 24, 2009.
Tom Goddard
April 12, 2007
Molecules or small complexes may be
represented by ellipsoids. Match ellipsoids to inertia tensor out to
specified radius. Don't currently have rendering for ellipsoids --
can't use atoms unless atom objects enhanced.
3.
Fetch by ID save button.
Fetch download directory added March 10, 2009.
Tom Goddard
April 12, 2007
Have "Fetch & Save" button on Fetch by ID dialog to immediately save
fetched file locally.
2.
Fetch by ID database descriptions.
Tom Goddard
April 12, 2007
Have balloon help on database names in fetch by id dialog to explain the
type of data available.
1.
Fetch EDS maps.
Implemented April 27, 2007
Tom Goddard, forgot user
April 12, 2007
Provide mFo-DFc EDS crystallographic density maps from EDS from fetch by id
dialog. Currently only can fetch 2mFo-DFc map.
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