[Chimera-users] Mirror image proteins

[Eric Pettersen]

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()[0]
for a in m.atoms:
	crd = a.coord()
	crd.x = 0 - crd.x
	a.setCoord(crd)

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.

--Eric

                         Eric Pettersen
                         UCSF Computer Graphics Lab
                         http://www.cgl.ucsf.edu


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