[Chimera-users] Mirror image proteins
pett at cgl.ucsf.edu
Mon Jan 3 11:26:02 PST 2011
On Jan 3, 2011, at 11:21 AM, Elaine Meng wrote:
> Hi Steve,
> Chimera doesn't include anything to do this, sorry. I believe you
> would just need a script to reverse the signs of all x, or all y, or
> all z atomic coordinates depending on the desired plane of reflection.
> On Dec 30, 2010, at 2:15 PM, Stephen B.H. Kent wrote:
>> How can I invert the configuration of a pdb file to create the
>> mirror image model
>> of the protein molecule?
Yes, you could write a Python script, or if you are just doing this
once, type this into the IDLE interpreter (under General Controls):
m = chimera.openModels.list()
for a in m.atoms:
crd = a.coord()
crd.x = 0 - crd.x
The above assumes that the model you want to invert is the only one
open, and inverts it in x (i.e. across the yz plane). Changing the
script to invert in y or z is obviously trivial.
Hope this helps.
UCSF Computer Graphics Lab
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