﻿id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
16713	Crash in QDockWidget event handling	chimerax-bug-report@…	Eric Pettersen	"{{{
The following bug report has been submitted:
Platform:        macOS-15.1.1-arm64-arm-64bit
ChimeraX Version: 1.9 (2024-12-11 19:11:19 UTC)
Description
Last time you used ChimeraX it crashed.
Please describe steps that led to the crash here.
Fatal Python error: Segmentation fault

Thread 0x0000000386473000 (most recent call first):
  File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 324 in wait
  File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 622 in wait
  File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1392 in run
  File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1038 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 995 in _bootstrap

Current thread 0x00000001e66d3840 (most recent call first):
  File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py"", line 330 in event_loop
  File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py"", line 1054 in init
  File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py"", line 1217 in 
  File """", line 88 in _run_code
  File """", line 198 in _run_module_as_main

Extension modules: chimerax.arrays._arrays, numpy.core._multiarray_umath, numpy.core._multiarray_tests, numpy.linalg._umath_linalg, numpy.fft._pocketfft_internal, numpy.random._common, numpy.random.bit_generator, numpy.random._bounded_integers, numpy.random._mt19937, numpy.random.mtrand, numpy.random._philox, numpy.random._pcg64, numpy.random._sfc64, numpy.random._generator, chimerax.geometry._geometry, PyQt6.QtCore, PyQt6.QtGui, PyQt6.QtWidgets, PyQt6.QtNetwork, PyQt6.QtPrintSupport, PyQt6.QtWebChannel, PyQt6.QtWebEngineCore, PyQt6.QtWebEngineWidgets, cython.cimports.libc.math, scipy._lib._ccallback_c, scipy.sparse._sparsetools, _csparsetools, scipy.sparse._csparsetools, scipy.linalg._fblas, scipy.linalg._flapack, scipy.linalg.cython_lapack, scipy.linalg._cythonized_array_utils, scipy.linalg._solve_toeplitz, scipy.linalg._decomp_lu_cython, scipy.linalg._matfuncs_sqrtm_triu, scipy.linalg.cython_blas, scipy.linalg._matfuncs_expm, scipy.linalg._decomp_update, scipy.sparse.linalg._dsolve._superlu, scipy.sparse.linalg._eigen.arpack._arpack, scipy.sparse.linalg._propack._spropack, scipy.sparse.linalg._propack._dpropack, scipy.sparse.linalg._propack._cpropack, scipy.sparse.linalg._propack._zpropack, scipy.sparse.csgraph._tools, scipy.sparse.csgraph._shortest_path, scipy.sparse.csgraph._traversal, scipy.sparse.csgraph._min_spanning_tree, scipy.sparse.csgraph._flow, scipy.sparse.csgraph._matching, scipy.sparse.csgraph._reordering, scipy.spatial._ckdtree, scipy._lib.messagestream, scipy.spatial._qhull, scipy.spatial._voronoi, scipy.spatial._distance_wrap, scipy.spatial._hausdorff, scipy.special._ufuncs_cxx, scipy.special._ufuncs, scipy.special._specfun, scipy.special._comb, scipy.special._ellip_harm_2, scipy.spatial.transform._rotation, markupsafe._speedups, chimerax.atomic_lib._load_libs, tinyarray, chimerax.atomic.cymol, chimerax.atomic.cytmpl, chimerax.map._map, charset_normalizer.md, requests.packages.charset_normalizer.md, requests.packages.chardet.md, PIL._imaging, kiwisolver._cext, OpenGL_accelerate.errorchecker, OpenGL_accelerate.wrapper, OpenGL_accelerate.formathandler, OpenGL_accelerate.arraydatatype, OpenGL_accelerate.latebind, OpenGL_accelerate.vbo, chimerax.pdb_lib._load_libs, chimerax.surface._surface, chimerax.core._mac_util, OpenGL_accelerate.numpy_formathandler, OpenGL_accelerate.nones_formathandler, chimerax.atomic._ribbons, chimerax.graphics._graphics, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, chimerax.pdb._pdbio, PIL._imagingmath, PyQt6.QtOpenGL, PyQt6.QtOpenGLWidgets (total: 93)


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  ""captureTime"" : ""2025-01-28 13:12:27.1946 -0500"",
  ""codeSigningMonitor"" : 1,
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===== Log before crash start =====
Startup Messages  
---  
note | available bundle cache has not been initialized yet  
  
UCSF ChimeraX version: 1.9 (2024-12-11)  
© 2016-2024 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open /Users/jabarro/Documents/collin/set2/1654.xyz format xyz

opened 1654.xyz as an XYZ coordinate file  

> style ball

Changed 70 atom styles  

> lighting soft

> lighting simple

> lighting full

> lighting simple

> lighting flat

> lighting simple

> lighting shadows true

> lighting simple

> graphics silhouettes false

> graphics silhouettes true

> graphics silhouettes false

> graphics silhouettes true

> graphics silhouettes false

> graphics silhouettes true

> graphics silhouettes false

> view

> preset seqcrow ball-stick-endcap

Using preset: SEQCROW / Ball-Stick-Endcap  
Preset implemented in Python; no expansion to individual ChimeraX commands
available.  

> preset seqcrow sticks

Using preset: SEQCROW / Sticks  
Preset implemented in Python; no expansion to individual ChimeraX commands
available.  

> preset seqcrow ""ball-stick-endcap (displayed only)""

Using preset: SEQCROW / Ball-Stick-Endcap (Displayed Only)  
Preset implemented in Python; no expansion to individual ChimeraX commands
available.  

> ui tool show ""Buried Volume""

> ui mousemode right ""select fragment""

> ui mousemode right select

> select add /a:1@C4

61 atoms, 60 bonds, 1 residue, 1 model selected  

> select add /a:1@C1

62 atoms, 60 bonds, 1 residue, 1 model selected  

> select add /a:1@N1

63 atoms, 60 bonds, 1 residue, 1 model selected  

> select add /a:1@C3

64 atoms, 61 bonds, 1 residue, 1 model selected  

> select add /a:1@C2

65 atoms, 62 bonds, 1 residue, 1 model selected  

> select clear

> select /a:1@N2

1 atom, 1 residue, 1 model selected  

> color radial #1.1 center 8.3327,7.4627,9.5307 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.1 30
    
    
    model	center	%Vbur
    1654	/a:1@N2	83.0
    

  

> ui mousemode right ""color key""

> ui mousemode right select

> ui mousemode right ""color key""

> key delete

> ui mousemode right select

> ui mousemode right ""contour level""

> lighting soft

> lighting full

> lighting flat

> lighting shadows true intensity 0.5

> lighting flat

> lighting full

> view sel

> view

> transparency 0

> volume hide

No volumes specified  

> volume style surface

No volumes specified  

> transparency 0

> transparecy 9

Unknown command: transparecy 9  

> transparency 9

> transparency 20

> transparency 100

> transparency 50

> transparency 60

> open /Users/jabarro/Documents/collin/set2/1654.xyz

opened 1654.xyz as an XYZ coordinate file  

> preset seqcrow ""ball-stick-endcap (displayed only)""

Using preset: SEQCROW / Ball-Stick-Endcap (Displayed Only)  
Preset implemented in Python; no expansion to individual ChimeraX commands
available.  

> ui mousemode right ""select fragment""

> select clear

> ui mousemode right select

> select add #1/a:1@C2

85 atoms, 84 bonds, 2 residues, 2 models selected  

> select add #1/a:1@C4

86 atoms, 84 bonds, 2 residues, 2 models selected  

> select add #3/a:1@H3

87 atoms, 84 bonds, 2 residues, 2 models selected  

> open /Users/jabarro/Documents/collin/set2/1654.xyz

opened 1654.xyz as an XYZ coordinate file  

> preset seqcrow ""ball-stick-endcap (displayed only)""

Using preset: SEQCROW / Ball-Stick-Endcap (Displayed Only)  
Preset implemented in Python; no expansion to individual ChimeraX commands
available.  

> select clear

> ui mousemode right ""select similar fragments""

> ui mousemode right select

> select add #1/a:1@C2

205 atoms, 204 bonds, 3 residues, 3 models selected  

> select add #4/a:1@H4

206 atoms, 204 bonds, 3 residues, 3 models selected  

> select add #1/a:1@C3

207 atoms, 205 bonds, 3 residues, 3 models selected  

> select add #1/a:1@N1

208 atoms, 205 bonds, 3 residues, 3 models selected  

> select add #1/a:1@C1

209 atoms, 205 bonds, 3 residues, 3 models selected  

> select add #1/a:1@C4

210 atoms, 206 bonds, 3 residues, 3 models selected  
Traceback (most recent call last):  
File ""/Users/jabarro/Library/Application Support/ChimeraX/1.9/lib/python/site-
packages/SEQCROW/tools/percent_Vbur.py"", line 655, in calc_vbur  
info = percent_vbur_cmd(  
^^^^^^^^^^^^^^^^^  
File ""/Users/jabarro/Library/Application Support/ChimeraX/1.9/lib/python/site-
packages/SEQCROW/commands/percent_Vbur.py"", line 314, in percent_vbur  
targets = rescol.find([AtomSpec(a.atomspec) for a in ligand_atoms])  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
TypeError: 'NoneType' object is not iterable  
  
TypeError: 'NoneType' object is not iterable  
  
File ""/Users/jabarro/Library/Application Support/ChimeraX/1.9/lib/python/site-
packages/SEQCROW/commands/percent_Vbur.py"", line 314, in percent_vbur  
targets = rescol.find([AtomSpec(a.atomspec) for a in ligand_atoms])  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
  
See log for complete Python traceback.  
  

> select clear

> select #1/a:1@N2

1 atom, 1 residue, 1 model selected  

> color radial #1.1 center 8.3327,7.4627,9.5307 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.1 30
    
    
    model	center	%Vbur
    1654	#1/a:1@N2	83.0
    

  

> transparency 60

> select clear

> ui mousemode right rotate

> ui mousemode right translate

> ui mousemode right rotate

> transparency 80

> save /Users/jabarro/Documents/collin/set2/sp/image3d.png width 1024 height
> 665 supersample 3

> lighting simple

> lighting soft

> lighting full

> lighting flat

> lighting shadows true intensity 0.5

> lighting flat

> graphics silhouettes false

> lighting soft

> lighting flat

> lighting full

> graphics silhouettes false

> lighting simple

> graphics silhouettes true

> graphics silhouettes false

> lighting full

> save /Users/jabarro/Documents/collin/set2/sp/3d-1654.png width 1024 height
> 665 supersample 3

> ui mousemode right ""select similar fragments""

> ui mousemode right select

> select #4/a:1@H4

1 atom, 1 residue, 1 model selected  

> ui mousemode right ""select similar fragments""

> ui mousemode right select

> select add #1/a:1@C2

206 atoms, 204 bonds, 3 residues, 3 models selected  

> select add #1/a:1@C3

207 atoms, 204 bonds, 3 residues, 3 models selected  

> select add #3/a:1@H2

208 atoms, 204 bonds, 3 residues, 3 models selected  

> select add #1/a:1@N1

209 atoms, 204 bonds, 3 residues, 3 models selected  

> select add #1/a:1@C4

210 atoms, 204 bonds, 3 residues, 3 models selected  

> select add #3/a:1@H3

211 atoms, 204 bonds, 3 residues, 3 models selected  

> select add #3/a:1@H1

212 atoms, 205 bonds, 3 residues, 3 models selected  

> select clear

> select #1/a:1@N2

1 atom, 1 residue, 1 model selected  

> color radial #1.1 center 8.3327,7.4627,9.5307 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.1 30
    
    
    model	center	%Vbur
    1654	#1/a:1@N2	81.2
    

  

> transparency 80

> select clear

> open /Users/jabarro/Documents/collin/set2/1528a.xyz

opened 1528a.xyz as an XYZ coordinate file  
Drag select of 3 atoms  

> select clear

> hide #4 models

> hide #3 models

> hide #1 models

> ui mousemode right translate

> preset seqcrow ""ball-stick-endcap (displayed only)""

Using preset: SEQCROW / Ball-Stick-Endcap (Displayed Only)  
Preset implemented in Python; no expansion to individual ChimeraX commands
available.  

> lighting full

> graphics silhouettes false

> ui mousemode right ""select fragment""

> ui mousemode right select

> select add #5/a:1@C5

39 atoms, 38 bonds, 1 residue, 1 model selected  

> select add #5/a:1@H5

40 atoms, 38 bonds, 1 residue, 1 model selected  

> select add #5/a:1@H6

41 atoms, 38 bonds, 1 residue, 1 model selected  

> select add #5/a:1@H4

42 atoms, 41 bonds, 1 residue, 1 model selected  

> select add #5/a:1@C1

43 atoms, 41 bonds, 1 residue, 1 model selected  

> select add #5/a:1@C2

44 atoms, 43 bonds, 1 residue, 1 model selected  

> select add #5/a:1@H1

45 atoms, 44 bonds, 1 residue, 1 model selected  

> select add #5/a:1@N2

46 atoms, 45 bonds, 1 residue, 1 model selected  

> select add #5/a:1@C3

47 atoms, 46 bonds, 1 residue, 1 model selected  

> select add #5/a:1@H2

48 atoms, 47 bonds, 1 residue, 1 model selected  

> select add #5/a:1@C4

49 atoms, 48 bonds, 1 residue, 1 model selected  

> select add #5/a:1@H3

50 atoms, 48 bonds, 1 residue, 1 model selected  

> select clear

> select add #5/a:1@N1

1 atom, 1 residue, 1 model selected  

> color radial #5.1 center 4.0327,20.3203,17.5553 palette rainbow range 0,3.50
> coordinateSystem #5

> transparency #5.1 30
    
    
    model	center	%Vbur
    1528a	#5/a:1@N1	88.0
    

  

> transparency 80

> save /Users/jabarro/Documents/collin/set2/sp/3d-1528a.png width 1024 height
> 665 supersample 3

> color radial #5.2 center 4.0327,20.3203,17.5553 palette rainbow range 0,3.50
> coordinateSystem #5

> transparency #5.2 30
    
    
    model	center	%Vbur
    1528a	#5/a:1@N1	88.0
    

  

> hide #5 models

> select add #1

71 atoms, 70 bonds, 2 residues, 2 models selected  

> close

> open /Users/jabarro/Documents/collin/set2/1528b.xyz

opened 1528b.xyz as an XYZ coordinate file  

> preset seqcrow ""ball-stick-endcap (displayed only)""

Using preset: SEQCROW / Ball-Stick-Endcap (Displayed Only)  
Preset implemented in Python; no expansion to individual ChimeraX commands
available.  

> lighting full

> graphics silhouettes false

> ui mousemode right ""select fragment""

> ui mousemode right select

> select /a:1@H14

1 atom, 1 residue, 1 model selected  

> select add /a:1@C14

2 atoms, 1 bond, 1 residue, 1 model selected  

> select add /a:1@C13

3 atoms, 1 bond, 1 residue, 1 model selected  

> select add /a:1@H13

4 atoms, 1 bond, 1 residue, 1 model selected  

> select add /a:1@N6

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select add /a:1@C12

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select add /a:1@H18

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select add /a:1@C11

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select add /a:1@C15

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select add /a:1@H17

10 atoms, 9 bonds, 1 residue, 1 model selected  

> select add /a:1@H15

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select add /a:1@H16

12 atoms, 11 bonds, 1 residue, 1 model selected  

> ui mousemode right ""select fragment""

> ui mousemode right select

> select subtract /a:1@N5

12 atoms, 11 bonds, 1 residue, 1 model selected  

> color radial #1.1 center 4.4826,8.4268,15.9536 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.1 30

> color radial #1.2 center 3.8680,7.5177,18.0786 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.2 30

> color radial #1.3 center 4.0928,8.5865,17.2102 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.3 30

> color radial #1.4 center 4.6473,7.1598,15.5569 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.4 30

> color radial #1.5 center 4.9406,6.9931,14.6692 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.5 30

> color radial #1.6 center 4.4065,6.0957,16.3879 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.6 30

> color radial #1.7 center 4.5130,5.2136,16.0504 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.7 30

> color radial #1.8 center 3.4754,7.7454,19.4843 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.8 30

> color radial #1.9 center 4.1829,8.2428,19.9447 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.9 30

> color radial #1.10 center 2.6425,8.2612,19.5112 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.10 30

> color radial #1.11 center 3.3397,6.8827,19.9291 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.11 30

> color radial #1.12 center 3.9421,9.5903,17.5791 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.12 30
    
    
    model	center	%Vbur
    1528b	/a:1@N6	61.5
    1528b	/a:1@C11	82.3
    1528b	/a:1@C12	67.8
    1528b	/a:1@C13	66.3
    1528b	/a:1@H13	50.9
    1528b	/a:1@C14	74.8
    1528b	/a:1@H14	59.7
    1528b	/a:1@C15	59.5
    1528b	/a:1@H15	45.8
    1528b	/a:1@H16	52.7
    1528b	/a:1@H17	60.7
    1528b	/a:1@H18	47.7
    

  

> select clear

> ui mousemode right ""select fragment""

> ui mousemode right select

> select subtract /a:1@N5

12 atoms, 11 bonds, 1 residue, 1 model selected  

> ui mousemode right ""select fragment""

> select clear

> ui mousemode right select

> select /a:1@N5

1 atom, 1 residue, 1 model selected  

> color radial #1.1 center 4.0272,6.2629,17.6591 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.1 30
    
    
    model	center	%Vbur
    1528b	/a:1@N5	87.0
    

  

> transparency 80

> select clear

> save /Users/jabarro/Documents/collin/set2/sp/3d-1528b.png width 1024 height
> 665 supersample 3

> select clear

> ui mousemode right ""select fragment""

> ui mousemode right select

> select subtract /a:1@N5

50 atoms, 49 bonds, 1 residue, 1 model selected  

> select clear

> ui mousemode right ""select fragment""

> ui mousemode right select

> select /a:1@N5

1 atom, 1 residue, 1 model selected  

> select clear

> ui mousemode right ""select fragment""

> select clear

> ui mousemode right select

> select add /a:1@N5

39 atoms, 38 bonds, 1 residue, 1 model selected  

> color radial #1.1 center 3.5530,3.8159,19.2383 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.1 30

> color radial #1.2 center 1.9472,0.6868,24.2120 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.2 30

> color radial #1.3 center 3.9867,0.8261,18.3503 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.3 30

> color radial #1.4 center 2.5437,3.0927,22.1901 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.4 30

> color radial #1.5 center 0.4085,7.8598,17.5553 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.5 30

> color radial #1.6 center 7.6569,7.8598,17.5553 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.6 30

> color radial #1.7 center 0.9491,5.8417,15.7080 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.7 30

> color radial #1.8 center 8.1975,5.8417,15.7080 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.8 30

> color radial #1.9 center 4.0272,6.2629,17.6591 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.9 30

> color radial #1.10 center 0.3453,6.5909,17.8955 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.10 30

> color radial #1.11 center 7.5937,6.5909,17.8955 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.11 30

> color radial #1.12 center 0.6160,5.5823,16.9688 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.12 30

> color radial #1.13 center 7.8644,5.5823,16.9688 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.13 30

> color radial #1.14 center 0.5604,4.6768,17.2497 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.14 30

> color radial #1.15 center 7.8088,4.6768,17.2497 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.15 30

> color radial #1.16 center 1.0164,7.1324,15.3885 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.16 30

> color radial #1.17 center 8.2648,7.1324,15.3885 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.17 30

> color radial #1.18 center 1.2568,7.3672,14.5001 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.18 30

> color radial #1.19 center 8.5052,7.3672,14.5001 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.19 30

> color radial #1.20 center 0.7535,8.1367,16.2857 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.20 30

> color radial #1.21 center 8.0019,8.1367,16.2857 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.21 30

> color radial #1.22 center 0.8172,9.0430,16.0053 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.22 30

> color radial #1.23 center 8.0656,9.0430,16.0053 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.23 30

> color radial #1.24 center -0.0378,6.2402,19.3259 palette rainbow range
> 0,3.50 coordinateSystem #1

> transparency #1.24 30

> color radial #1.25 center 7.2106,6.2402,19.3259 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.25 30

> color radial #1.26 center -0.9114,5.7960,19.3306 palette rainbow range
> 0,3.50 coordinateSystem #1

> transparency #1.26 30

> color radial #1.27 center 6.3370,5.7960,19.3306 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.27 30

> color radial #1.28 center 0.6362,5.6394,19.7066 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.28 30

> color radial #1.29 center 7.8846,5.6394,19.7066 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.29 30

> color radial #1.30 center -0.0851,7.0595,19.8615 palette rainbow range
> 0,3.50 coordinateSystem #1

> transparency #1.30 30

> color radial #1.31 center 7.1633,7.0595,19.8615 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.31 30

> color radial #1.32 center 3.5155,0.7982,19.6078 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.32 30

> color radial #1.33 center 3.2687,2.0009,20.2457 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.33 30

> color radial #1.34 center 2.8110,1.9384,21.5500 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.34 30

> color radial #1.35 center 2.5893,0.7511,22.2097 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.35 30

> color radial #1.36 center 2.5595,-1.5890,22.1031 palette rainbow range
> 0,3.50 coordinateSystem #1

> transparency #1.36 30

> color radial #1.37 center 3.2809,-0.4309,20.2033 palette rainbow range
> 0,3.50 coordinateSystem #1

> transparency #1.37 30

> color radial #1.38 center 2.8198,-0.4127,21.4992 palette rainbow range
> 0,3.50 coordinateSystem #1

> transparency #1.38 30

> color radial #1.39 center 3.5745,-2.2150,19.1488 palette rainbow range
> 0,3.50 coordinateSystem #1

> transparency #1.39 30
    
    
    model	center	%Vbur
    1528b	/a:1@I1	53.9
    1528b	/a:1@I2	44.6
    1528b	/a:1@F1	49.3
    1528b	/a:1@F2	49.5
    1528b	/a:1@N1	49.6
    1528b	/a:1@N2	49.2
    1528b	/a:1@N3	45.4
    1528b	/a:1@N4	43.3
    1528b	/a:1@N5	42.8
    1528b	/a:1@C1	58.8
    1528b	/a:1@C2	56.1
    1528b	/a:1@C3	56.1
    1528b	/a:1@C4	50.9
    1528b	/a:1@H1	47.9
    1528b	/a:1@H2	41.1
    1528b	/a:1@C5	44.5
    1528b	/a:1@C6	44.5
    1528b	/a:1@H3	33.5
    1528b	/a:1@H4	33.5
    1528b	/a:1@C7	44.8
    1528b	/a:1@C8	44.8
    1528b	/a:1@H5	33.3
    1528b	/a:1@H6	33.3
    1528b	/a:1@C9	42.9
    1528b	/a:1@C10	42.6
    1528b	/a:1@H7	34.5
    1528b	/a:1@H8	44.2
    1528b	/a:1@H9	46.0
    1528b	/a:1@H10	35.5
    1528b	/a:1@H11	33.7
    1528b	/a:1@H12	33.8
    1528b	/a:1@C16	64.6
    1528b	/a:1@C17	68.0
    1528b	/a:1@C18	64.3
    1528b	/a:1@C19	67.8
    1528b	/a:1@F3	49.1
    1528b	/a:1@C20	67.8
    1528b	/a:1@C21	64.5
    1528b	/a:1@I3	44.6
    

  

> select clear

> ui mousemode right ""select fragment""

> ui mousemode right select

> select add /a:1@N5

39 atoms, 38 bonds, 1 residue, 1 model selected  

> color radial #1.1 center 3.5530,3.8159,19.2383 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.1 30

> color radial #1.2 center 1.9472,0.6868,24.2120 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.2 30

> color radial #1.3 center 3.9867,0.8261,18.3503 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.3 30

> color radial #1.4 center 2.5437,3.0927,22.1901 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.4 30

> color radial #1.5 center 0.4085,7.8598,17.5553 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.5 30

> color radial #1.6 center 7.6569,7.8598,17.5553 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.6 30

> color radial #1.7 center 0.9491,5.8417,15.7080 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.7 30

> color radial #1.8 center 8.1975,5.8417,15.7080 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.8 30

> color radial #1.9 center 4.0272,6.2629,17.6591 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.9 30

> color radial #1.10 center 0.3453,6.5909,17.8955 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.10 30

> color radial #1.11 center 7.5937,6.5909,17.8955 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.11 30

> color radial #1.12 center 0.6160,5.5823,16.9688 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.12 30

> color radial #1.13 center 7.8644,5.5823,16.9688 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.13 30

> color radial #1.14 center 0.5604,4.6768,17.2497 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.14 30

> color radial #1.15 center 7.8088,4.6768,17.2497 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.15 30

> color radial #1.16 center 1.0164,7.1324,15.3885 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.16 30

> color radial #1.17 center 8.2648,7.1324,15.3885 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.17 30

> color radial #1.18 center 1.2568,7.3672,14.5001 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.18 30

> color radial #1.19 center 8.5052,7.3672,14.5001 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.19 30

> color radial #1.20 center 0.7535,8.1367,16.2857 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.20 30

> color radial #1.21 center 8.0019,8.1367,16.2857 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.21 30

> color radial #1.22 center 0.8172,9.0430,16.0053 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.22 30

> color radial #1.23 center 8.0656,9.0430,16.0053 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.23 30

> color radial #1.24 center -0.0378,6.2402,19.3259 palette rainbow range
> 0,3.50 coordinateSystem #1

> transparency #1.24 30

> color radial #1.25 center 7.2106,6.2402,19.3259 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.25 30

> color radial #1.26 center -0.9114,5.7960,19.3306 palette rainbow range
> 0,3.50 coordinateSystem #1

> transparency #1.26 30

> color radial #1.27 center 6.3370,5.7960,19.3306 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.27 30

> color radial #1.28 center 0.6362,5.6394,19.7066 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.28 30

> color radial #1.29 center 7.8846,5.6394,19.7066 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.29 30

> color radial #1.30 center -0.0851,7.0595,19.8615 palette rainbow range
> 0,3.50 coordinateSystem #1

> transparency #1.30 30

> color radial #1.31 center 7.1633,7.0595,19.8615 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.31 30

> color radial #1.32 center 3.5155,0.7982,19.6078 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.32 30

> color radial #1.33 center 3.2687,2.0009,20.2457 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.33 30

> color radial #1.34 center 2.8110,1.9384,21.5500 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.34 30

> color radial #1.35 center 2.5893,0.7511,22.2097 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.35 30

> color radial #1.36 center 2.5595,-1.5890,22.1031 palette rainbow range
> 0,3.50 coordinateSystem #1

> transparency #1.36 30

> color radial #1.37 center 3.2809,-0.4309,20.2033 palette rainbow range
> 0,3.50 coordinateSystem #1

> transparency #1.37 30

> color radial #1.38 center 2.8198,-0.4127,21.4992 palette rainbow range
> 0,3.50 coordinateSystem #1

> transparency #1.38 30

> color radial #1.39 center 3.5745,-2.2150,19.1488 palette rainbow range
> 0,3.50 coordinateSystem #1

> transparency #1.39 30
    
    
    model	center	%Vbur
    1528b	/a:1@I1	53.9
    1528b	/a:1@I2	44.6
    1528b	/a:1@F1	49.3
    1528b	/a:1@F2	49.5
    1528b	/a:1@N1	49.6
    1528b	/a:1@N2	49.2
    1528b	/a:1@N3	45.4
    1528b	/a:1@N4	43.3
    1528b	/a:1@N5	42.8
    1528b	/a:1@C1	58.8
    1528b	/a:1@C2	56.1
    1528b	/a:1@C3	56.1
    1528b	/a:1@C4	50.9
    1528b	/a:1@H1	47.9
    1528b	/a:1@H2	41.1
    1528b	/a:1@C5	44.5
    1528b	/a:1@C6	44.5
    1528b	/a:1@H3	33.5
    1528b	/a:1@H4	33.5
    1528b	/a:1@C7	44.8
    1528b	/a:1@C8	44.8
    1528b	/a:1@H5	33.3
    1528b	/a:1@H6	33.3
    1528b	/a:1@C9	42.9
    1528b	/a:1@C10	42.6
    1528b	/a:1@H7	34.5
    1528b	/a:1@H8	44.2
    1528b	/a:1@H9	46.0
    1528b	/a:1@H10	35.5
    1528b	/a:1@H11	33.7
    1528b	/a:1@H12	33.8
    1528b	/a:1@C16	64.6
    1528b	/a:1@C17	68.0
    1528b	/a:1@C18	64.3
    1528b	/a:1@C19	67.8
    1528b	/a:1@F3	49.1
    1528b	/a:1@C20	67.8
    1528b	/a:1@C21	64.5
    1528b	/a:1@I3	44.6
    

  

> select clear

> ui mousemode right ""select fragment""

> select clear

> ui mousemode right select

> select add /a:1@N5

1 atom, 1 residue, 1 model selected  

> color radial #1.1 center 4.0272,6.2629,17.6591 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.1 30
    
    
    model	center	%Vbur
    1528b	/a:1@N5	42.7
    

  

> transparency 80

> save /Users/jabarro/Documents/collin/set2/sp/3d-1528b.png width 1024 height
> 665 supersample 3

> transparency 60

> save /Users/jabarro/Documents/collin/set2/sp/3d-1528b.png width 1024 height
> 665 supersample 3

> close #1

> open /Users/jabarro/Documents/collin/set2/1528a.xyz format xyz

opened 1528a.xyz as an XYZ coordinate file  

> preset seqcrow ""ball-stick-endcap (displayed only)""

Using preset: SEQCROW / Ball-Stick-Endcap (Displayed Only)  
Preset implemented in Python; no expansion to individual ChimeraX commands
available.  

> lighting full

> graphics silhouettes false

> ui mousemode right ""select fragment""

> ui mousemode right select

> select clear

> select /a:1@N1

1 atom, 1 residue, 1 model selected  

> color radial #1.1 center 4.0327,20.3203,17.5553 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.1 30
    
    
    model	center	%Vbur
    1528a	/a:1@N1	43.9
    

  

> transparency 60

> save /Users/jabarro/Documents/collin/set2/sp/3d-1528a.png width 1024 height
> 665 supersample 3

> open /Users/jabarro/Documents/collin/set2/1654.xyz

opened 1654.xyz as an XYZ coordinate file  

> hide #!1 models

> show #!1 models

> hide #2 models

> show #2 models

> hide #!1 models

> show #!1 models

> hide #2 models

> hide #!1 models

> select add #1

51 atoms, 51 bonds, 1 residue, 3 models selected  

> select add #1

51 atoms, 51 bonds, 1 residue, 3 models selected  

> show #!1 models

> close

> open /Users/jabarro/Documents/collin/set2/1654.xyz

opened 1654.xyz as an XYZ coordinate file  

> preset seqcrow ""ball-stick-endcap (displayed only)""

Using preset: SEQCROW / Ball-Stick-Endcap (Displayed Only)  
Preset implemented in Python; no expansion to individual ChimeraX commands
available.  

> lighting full

> graphics silhouettes false

> select clear

> ui mousemode right translate

> ui mousemode right ""select fragment""

> ui mousemode right select

> select add /a:1@N2

61 atoms, 60 bonds, 1 residue, 1 model selected  

> select clear

> ui mousemode right ""select fragment""

> select clear

> ui mousemode right select

> select clear

> select add /a:1@N2

1 atom, 1 residue, 1 model selected  

> color radial #1.1 center 0.0000,-0.0000,0.0000 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.1 30
    
    
    model	center	%Vbur
    1654	/a:1@N2	46.6
    

  

> transparency 60

> save /Users/jabarro/Documents/collin/set2/sp/3d-1654.png width 1024 height
> 665 supersample 3

> close

> open /Users/jabarro/Documents/collin/set2/6677a.xyz

opened 6677a.xyz as an XYZ coordinate file  

> ui mousemode right translate

> preset seqcrow ""ball-stick-endcap (displayed only)""

Using preset: SEQCROW / Ball-Stick-Endcap (Displayed Only)  
Preset implemented in Python; no expansion to individual ChimeraX commands
available.  

> lighting full

> graphics silhouettes false

> ui mousemode right ""select fragment""

> select clear

> ui mousemode right select

> select /a:1@N3

1 atom, 1 residue, 1 model selected  

> color radial #1.1 center 0.0000,-0.0000,0.0000 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.1 30
    
    
    model	center	%Vbur
    6677a	/a:1@N3	44.6
    

  

> transparency 60

> save /Users/jabarro/Documents/collin/set2/sp/3d-6677a.png width 1024 height
> 665 supersample 3

> close

> open /Users/jabarro/Documents/collin/set2/6677b.xyz

opened 6677b.xyz as an XYZ coordinate file  

> preset seqcrow ""ball-stick-endcap (displayed only)""

Using preset: SEQCROW / Ball-Stick-Endcap (Displayed Only)  
Preset implemented in Python; no expansion to individual ChimeraX commands
available.  

> lighting full

> graphics silhouettes false

> ui mousemode right ""select fragment""

> ui mousemode right select

> select clear

> select /a:1@N6

1 atom, 1 residue, 1 model selected  

> color radial #1.1 center 0.0000,-0.0000,0.0000 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.1 30
    
    
    model	center	%Vbur
    6677b	/a:1@N6	44.7
    

  

> transparency 60

> save /Users/jabarro/Documents/collin/set2/sp/3d-6677b.png width 1024 height
> 665 supersample 3

> close

> open /Users/jabarro/Documents/collin/set2/6647a.xyz

opened 6647a.xyz as an XYZ coordinate file  

> preset seqcrow ""ball-stick-endcap (displayed only)""

Using preset: SEQCROW / Ball-Stick-Endcap (Displayed Only)  
Preset implemented in Python; no expansion to individual ChimeraX commands
available.  

> lighting full

> graphics silhouettes false

> ui mousemode right translate

> ui mousemode right ""select fragment""

> select clear

> ui mousemode right select

> select /a:1@N6

1 atom, 1 residue, 1 model selected  

> color radial #1.1 center 0.0000,-0.0000,0.0000 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.1 30
    
    
    model	center	%Vbur
    6647a	/a:1@N6	41.9
    

  

> transparency 60

> save /Users/jabarro/Documents/collin/set2/sp/3d-6647b.png width 1024 height
> 665 supersample 3

> close

> open /Users/jabarro/Documents/collin/set2/6647b.xyz

opened 6647b.xyz as an XYZ coordinate file  

> preset seqcrow ""ball-stick-endcap (displayed only)""

Using preset: SEQCROW / Ball-Stick-Endcap (Displayed Only)  
Preset implemented in Python; no expansion to individual ChimeraX commands
available.  

> lighting full

> graphics silhouettes false

> ui mousemode right ""select fragment""

> select clear

> ui mousemode right select

> select /a:1@N3

1 atom, 1 residue, 1 model selected  

> color radial #1.1 center -0.0000,-0.0000,0.0000 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.1 30
    
    
    model	center	%Vbur
    6647b	/a:1@N3	43.0
    

  

> transparency 60

> save /Users/jabarro/Documents/collin/set2/sp/3d-6647b.png width 1024 height
> 665 supersample 3

> close

> open /Users/jabarro/Documents/collin/set2/sp/6680a.xyz

opened 6680a.xyz as an XYZ coordinate file  

> select clear

> preset seqcrow ""ball-stick-endcap (displayed only)""

Using preset: SEQCROW / Ball-Stick-Endcap (Displayed Only)  
Preset implemented in Python; no expansion to individual ChimeraX commands
available.  

> lighting full

> graphics silhouettes false

Drag select of 1 atoms, 1 bonds  

> select clear

> ui mousemode right ""select fragment""

> ui mousemode right select

> select clear

> select /a:1@N6

1 atom, 1 residue, 1 model selected  

> select clear

> ui mousemode right ""select fragment""

> ui mousemode right select

> select clear

> select /a:1@N6

1 atom, 1 residue, 1 model selected  

> color radial #1.1 center 15.1339,17.1707,20.0486 palette rainbow range
> 0,3.50 coordinateSystem #1

> transparency #1.1 30
    
    
    model	center	%Vbur
    6680a	/a:1@N6	40.7
    

  

> transparency 60

> select clear

> save /Users/jabarro/Documents/collin/set2/sp/3d-6680a.png width 1024 height
> 665 supersample 3

> save /Users/jabarro/Documents/collin/set2/sp/2d-6680a.png width 1024 height
> 665 supersample 3

> close

> open /Users/jabarro/Documents/collin/set2/sp/6680b.xyz

opened 6680b.xyz as an XYZ coordinate file  

> preset seqcrow ""ball-stick-endcap (displayed only)""

Using preset: SEQCROW / Ball-Stick-Endcap (Displayed Only)  
Preset implemented in Python; no expansion to individual ChimeraX commands
available.  

> select clear

> ui mousemode right ""select fragment""

> lighting full

> graphics silhouettes false

> select clear

> ui mousemode right select

> select /a:1@N5

1 atom, 1 residue, 1 model selected  

> select clear

> select /a:1@N5

1 atom, 1 residue, 1 model selected  

> color radial #1.1 center 10.6213,10.3164,14.2871 palette rainbow range
> 0,3.50 coordinateSystem #1

> transparency #1.1 30
    
    
    model	center	%Vbur
    6680b	/a:1@N5	42.7
    

  

> transparency 60

> save /Users/jabarro/Documents/collin/set2/sp/2d-6680b.png width 1024 height
> 665 supersample 3

> save /Users/jabarro/Documents/collin/set2/sp/3d-6680b.png width 1024 height
> 665 supersample 3

> close

> open /Users/jabarro/Documents/collin/set2/sp/6680c.xyz

opened 6680c.xyz as an XYZ coordinate file  

> lighting full

> preset seqcrow ""ball-stick-endcap (displayed only)""

Using preset: SEQCROW / Ball-Stick-Endcap (Displayed Only)  
Preset implemented in Python; no expansion to individual ChimeraX commands
available.  

> lighting full

> graphics silhouettes false

> ui mousemode right ""select fragment""

> select clear

> ui mousemode right select

> select /a:1@N1

1 atom, 1 residue, 1 model selected  

> color radial #1.1 center 14.0278,11.5147,13.0069 palette rainbow range
> 0,3.50 coordinateSystem #1

> transparency #1.1 30
    
    
    model	center	%Vbur
    6680c	/a:1@N1	42.7
    

  

> transparency 60

> color radial #1.2 center 14.0278,11.5147,13.0069 palette rainbow range
> 0,3.50 coordinateSystem #1

> transparency #1.2 30
    
    
    model	center	%Vbur
    6680c	/a:1@N1	42.7
    

  

> save /Users/jabarro/Documents/collin/set2/sp/2d-6680c.png width 1024 height
> 665 supersample 3

> transparency 60

> color radial #1.1 center 14.0278,11.5147,13.0069 palette rainbow range
> 0,3.50 coordinateSystem #1

> transparency #1.1 30
    
    
    model	center	%Vbur
    6680c	/a:1@N1	42.7
    

  

> transparency 60

> save /Users/jabarro/Documents/collin/set2/sp/3d-6680c.png width 1024 height
> 665 supersample 3

> close

> open /Users/jabarro/Documents/collin/set2/sp/6680d.xyz

opened 6680d.xyz as an XYZ coordinate file  

> lighting full

> graphics silhouettes true

> preset seqcrow ""ball-stick-endcap (displayed only)""

Using preset: SEQCROW / Ball-Stick-Endcap (Displayed Only)  
Preset implemented in Python; no expansion to individual ChimeraX commands
available.  

> lighting full

> graphics silhouettes false

> ui mousemode right ""select fragment""

> select clear

> ui mousemode right select

> select /a:1@N2

1 atom, 1 residue, 1 model selected  

> color radial #1.1 center 14.7711,8.8695,13.4615 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.1 30
    
    
    model	center	%Vbur
    6680d	/a:1@N2	41.7
    

  

> transparency 60

> save /Users/jabarro/Documents/collin/set2/sp/3d-6680d.png width 1024 height
> 665 supersample 3

> close

> open /Users/jabarro/Documents/collin/set2/sp/6679a.xyz

opened 6679a.xyz as an XYZ coordinate file  

> preset seqcrow ""ball-stick-endcap (displayed only)""

Using preset: SEQCROW / Ball-Stick-Endcap (Displayed Only)  
Preset implemented in Python; no expansion to individual ChimeraX commands
available.  

> lighting full

> graphics silhouettes false

> select clear

> ui mousemode right ""select fragment""

> select clear

> ui mousemode right select

> select /a:1@N1

1 atom, 1 residue, 1 model selected  

> color radial #1.1 center 8.5347,32.6077,4.5766 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.1 30
    
    
    model	center	%Vbur
    6679a	/a:1@N1	44.0
    

  

> transparency 60

> select clear

Drag select of %Vbur for 6679a, 15 of 5539 triangles  

> select clear

> save /Users/jabarro/Documents/collin/set2/sp/3d-6679a.png width 1024 height
> 665 supersample 3

> close

> open /Users/jabarro/Documents/collin/set2/sp/6679b.xyz

opened 6679b.xyz as an XYZ coordinate file  

> preset seqcrow ""ball-stick-endcap (displayed only)""

Using preset: SEQCROW / Ball-Stick-Endcap (Displayed Only)  
Preset implemented in Python; no expansion to individual ChimeraX commands
available.  

> lighting full

> graphics silhouettes false

> select clear

> select /a:1@I3

1 atom, 1 residue, 1 model selected  

> select /a:1@N5

1 atom, 1 residue, 1 model selected  

> select clear

> ui mousemode right ""select fragment""

> select clear

> ui mousemode right select

> select /a:1@N4

1 atom, 1 residue, 1 model selected  

> color radial #1.1 center 6.6301,30.5894,4.3823 palette rainbow range 0,3.50
> coordinateSystem #1

> transparency #1.1 30
    
    
    model	center	%Vbur
    6679b	/a:1@N4	40.1
    

  

> transparency 60

> save /Users/jabarro/Documents/collin/set2/sp/3d-6679b.png width 1024 height
> 665 supersample 3

> ui windowfill toggle

> show target m

> close

> open /Users/jabarro/Documents/collin/set2/sp/6680a.xyz format xyz

opened 6680a.xyz as an XYZ coordinate file  

> preset seqcrow ""ball-stick-endcap (displayed only)""

Using preset: SEQCROW / Ball-Stick-Endcap (Displayed Only)  
Preset implemented in Python; no expansion to individual ChimeraX commands
available.  

> lighting full

> graphics silhouettes false

> ui mousemode right ""select fragment""

> select clear

> ui mousemode right select

> select add /a:1@H18

45 atoms, 44 bonds, 1 residue, 1 model selected  

> select add /a:1@C15

46 atoms, 44 bonds, 1 residue, 1 model selected  

> select add /a:1@C14

47 atoms, 44 bonds, 1 residue, 1 model selected  

> select add /a:1@H17

48 atoms, 44 bonds, 1 residue, 1 model selected  

> select clear

> select /a:1@N6

1 atom, 1 residue, 1 model selected  

> color radial #1.1 center 15.1339,17.1707,20.0486 palette rainbow range
> 0,3.50 coordinateSystem #1

> transparency #1.1 30
    
    
    model	center	%Vbur
    6680a	/a:1@N6	71.5
    

  


===== Log before crash end =====

Log:
Startup Messages  
---  
note | available bundle cache has not been initialized yet  
  
UCSF ChimeraX version: 1.9 (2024-12-11)  
© 2016-2024 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  




OpenGL version: 4.1 Metal - 89.3
OpenGL renderer: Apple M3 Pro
OpenGL vendor: Apple

Python: 3.11.4
Locale: UTF-8
Qt version: PyQt6 6.7.1, Qt 6.7.1
Qt runtime version: 6.7.3
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: MacBook Pro
      Model Identifier: Mac15,6
      Model Number: MRX33LL/A
      Chip: Apple M3 Pro
      Total Number of Cores: 11 (5 performance and 6 efficiency)
      Memory: 18 GB
      System Firmware Version: 11881.41.5
      OS Loader Version: 11881.41.5

Software:

    System Software Overview:

      System Version: macOS 15.1.1 (24B91)
      Kernel Version: Darwin 24.1.0
      Time since boot: 25 days, 6 hours, 1 minute

Graphics/Displays:

    Apple M3 Pro:

      Chipset Model: Apple M3 Pro
      Type: GPU
      Bus: Built-In
      Total Number of Cores: 14
      Vendor: Apple (0x106b)
      Metal Support: Metal 3
      Displays:
        DELL U2723QE:
          Resolution: 3840 x 2160 (2160p/4K UHD 1 - Ultra High Definition)
          UI Looks like: 1920 x 1080 @ 60.00Hz
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Rotation: Supported
        Color LCD:
          Display Type: Built-in Liquid Retina XDR Display
          Resolution: 3024 x 1964 Retina
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: Yes
          Connection Type: Internal


Installed Packages:
    alabaster: 1.0.0
    anyio: 4.7.0
    appdirs: 1.4.4
    appnope: 0.1.4
    asttokens: 3.0.0
    auditwheel: 6.1.0
    babel: 2.16.0
    beautifulsoup4: 4.12.3
    blockdiag: 3.0.0
    blosc2: 3.0.0
    build: 1.2.1
    certifi: 2023.11.17
    cftime: 1.6.4.post1
    charset-normalizer: 3.4.0
    ChimeraX-AddCharge: 1.5.18
    ChimeraX-AddH: 2.2.6
    ChimeraX-AlignmentAlgorithms: 2.0.2
    ChimeraX-AlignmentHdrs: 3.5
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.16.1
    ChimeraX-AlphaFold: 1.0.1
    ChimeraX-AltlocExplorer: 1.1.2
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.58.8
    ChimeraX-AtomicLibrary: 14.1.11
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.4
    ChimeraX-BasicActions: 1.1.2
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 3.0.0
    ChimeraX-BondRot: 2.0.4
    ChimeraX-BugReporter: 1.0.1
    ChimeraX-BuildStructure: 2.13.1
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.4.0
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.4
    ChimeraX-ChangeChains: 1.1
    ChimeraX-CheckWaters: 1.4
    ChimeraX-ChemGroup: 2.0.1
    ChimeraX-Clashes: 2.3
    ChimeraX-ColorActions: 1.0.5
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.6
    ChimeraX-CommandLine: 1.2.5
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.9
    ChimeraX-CoreFormats: 1.2
    ChimeraX-coulombic: 1.4.4
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.3
    ChimeraX-Dicom: 1.2.6
    ChimeraX-DistMonitor: 1.4.2
    ChimeraX-DockPrep: 1.1.3
    ChimeraX-Dssp: 2.0
    ChimeraX-EMDB-SFF: 1.0
    ChimeraX-ESMFold: 1.0
    ChimeraX-FileHistory: 1.0.1
    ChimeraX-FunctionKey: 1.0.1
    ChimeraX-Geometry: 1.3
    ChimeraX-gltf: 1.0
    ChimeraX-Graphics: 1.4.1
    ChimeraX-Hbonds: 2.5
    ChimeraX-Help: 1.3
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.3
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-IUPAC: 1.0
    ChimeraX-KVFinder: 1.2.1
    ChimeraX-Label: 1.1.14
    ChimeraX-ListInfo: 1.2.2
    ChimeraX-Log: 1.2
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.9.1
    ChimeraX-Map: 1.3
    ChimeraX-MapData: 2.0
    ChimeraX-MapEraser: 1.0.1
    ChimeraX-MapFilter: 2.0.1
    ChimeraX-MapFit: 2.0
    ChimeraX-MapSeries: 2.1.1
    ChimeraX-Markers: 1.0.1
    ChimeraX-Mask: 1.0.2
    ChimeraX-MatchMaker: 2.1.6
    ChimeraX-MCopy: 1.0
    ChimeraX-MDcrds: 2.7.2
    ChimeraX-MedicalToolbar: 1.1
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.14.2
    ChimeraX-MMTF: 2.2
    ChimeraX-ModelArchive: 1.0
    ChimeraX-Modeller: 1.5.18
    ChimeraX-ModelPanel: 1.5
    ChimeraX-ModelSeries: 1.0.1
    ChimeraX-Mol2: 2.0.3
    ChimeraX-Mole: 1.0
    ChimeraX-Morph: 1.0.2
    ChimeraX-MouseModes: 1.2
    ChimeraX-Movie: 1.0
    ChimeraX-MutationScores: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nifti: 1.2
    ChimeraX-NMRSTAR: 1.0.2
    ChimeraX-NRRD: 1.2
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.14
    ChimeraX-OrthoPick: 1.0.1
    ChimeraX-PDB: 2.7.6
    ChimeraX-PDBBio: 1.0.1
    ChimeraX-PDBLibrary: 1.0.4
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0.1
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1.2
    ChimeraX-PubChem: 2.2
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.2
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.6.2
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.3.1
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 4.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.2
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-Segmentations: 3.5.6
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.14
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.2.0
    ChimeraX-ShowSequences: 1.0.3
    ChimeraX-SideView: 1.0.1
    ChimeraX-SimilarStructures: 1.0.1
    ChimeraX-Smiles: 2.1.2
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.18.1
    ChimeraX-STL: 1.0.1
    ChimeraX-Storm: 1.0
    ChimeraX-StructMeasure: 1.2.1
    ChimeraX-Struts: 1.0.1
    ChimeraX-Surface: 1.0.1
    ChimeraX-SwapAA: 2.0.1
    ChimeraX-SwapRes: 2.5
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-TaskManager: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.2.3
    ChimeraX-ToolshedUtils: 1.2.4
    ChimeraX-Topography: 1.0
    ChimeraX-ToQuest: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.41
    ChimeraX-Umap: 1.0
    ChimeraX-uniprot: 2.3.1
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.4.4
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0.1
    ChimeraX-vrml: 1.0
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0.2
    ChimeraX-WebServices: 1.1.4
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.2.2
    contourpy: 1.3.1
    cxservices: 1.2.3
    cycler: 0.12.1
    Cython: 3.0.10
    debugpy: 1.8.9
    decorator: 5.1.1
    docutils: 0.21.2
    executing: 2.1.0
    filelock: 3.15.4
    fonttools: 4.55.3
    funcparserlib: 2.0.0a0
    glfw: 2.8.0
    grako: 3.16.5
    h11: 0.14.0
    h5py: 3.12.1
    html2text: 2024.2.26
    httpcore: 1.0.7
    httpx: 0.28.1
    idna: 3.10
    ihm: 1.3
    imagecodecs: 2024.6.1
    imagesize: 1.4.1
    ipykernel: 6.29.5
    ipython: 8.26.0
    ipywidgets: 8.1.5
    jedi: 0.19.1
    Jinja2: 3.1.4
    jupyter_client: 8.6.2
    jupyter_core: 5.7.2
    jupyterlab_widgets: 3.0.13
    kiwisolver: 1.4.7
    line_profiler: 4.1.3
    lxml: 5.2.2
    lz4: 4.3.3
    MarkupSafe: 3.0.2
    matplotlib: 3.9.2
    matplotlib-inline: 0.1.7
    msgpack: 1.0.8
    ndindex: 1.9.2
    nest-asyncio: 1.6.0
    netCDF4: 1.6.5
    networkx: 3.3
    nibabel: 5.2.0
    nptyping: 2.5.0
    numexpr: 2.10.2
    numpy: 1.26.4
    openvr: 1.26.701
    packaging: 23.2
    ParmEd: 4.2.2
    parso: 0.8.4
    pep517: 0.13.1
    pexpect: 4.9.0
    pillow: 10.4.0
    pip: 24.2
    pkginfo: 1.11.1
    platformdirs: 4.3.6
    prompt_toolkit: 3.0.48
    psutil: 6.0.0
    ptyprocess: 0.7.0
    pure_eval: 0.2.3
    py-cpuinfo: 9.0.0
    pycollada: 0.8
    pydicom: 2.4.4
    pyelftools: 0.31
    Pygments: 2.18.0
    pynmrstar: 3.3.4
    pynrrd: 1.0.0
    PyOpenGL: 3.1.7
    PyOpenGL-accelerate: 3.1.7
    pyopenxr: 1.0.3401
    pyparsing: 3.2.0
    pyproject_hooks: 1.2.0
    PyQt6-commercial: 6.7.1
    PyQt6-Qt6: 6.7.3
    PyQt6-WebEngine-commercial: 6.7.0
    PyQt6-WebEngine-Qt6: 6.7.3
    PyQt6-WebEngineSubwheel-Qt6: 6.7.3
    PyQt6_sip: 13.8.0
    python-dateutil: 2.9.0.post0
    pytz: 2024.2
    pyzmq: 26.2.0
    qtconsole: 5.5.2
    QtPy: 2.4.2
    qtshim: 1.0
    RandomWords: 0.4.0
    requests: 2.32.3
    scipy: 1.14.0
    Send2Trash: 1.8.3
    SEQCROW: 1.8.17
    setuptools: 72.1.0
    sfftk-rw: 0.8.1
    six: 1.16.0
    sniffio: 1.3.1
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    soupsieve: 2.6
    Sphinx: 8.0.2
    sphinx-autodoc-typehints: 2.2.3
    sphinxcontrib-applehelp: 2.0.0
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 2.0.0
    sphinxcontrib-htmlhelp: 2.1.0
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 2.0.0
    sphinxcontrib-serializinghtml: 2.0.0
    stack-data: 0.6.3
    superqt: 0.6.3
    tables: 3.10.1
    tcia_utils: 1.5.1
    tifffile: 2024.7.24
    tinyarray: 1.2.4
    tornado: 6.4.2
    traitlets: 5.14.3
    typing_extensions: 4.12.2
    tzdata: 2024.2
    urllib3: 2.2.3
    wcwidth: 0.2.13
    webcolors: 24.6.0
    wheel: 0.43.0
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.13
}}}
"	defect	closed	normal		Window Toolkit		can't reproduce		Tom Goddard				all	ChimeraX
