[Chimera-users] Analysis of dihedral angles

[Eric Pettersen]

On Apr 13, 2010, at 8:58 AM, Elaine Meng wrote:

> (b) peptide dihedrals.  The phi,psi,chiN values for amino acid  
> residues are automatically assigned as attributes.  You can save an  
> attribute (list of values) to a file from the Render by Attribute  
> tool.
> <http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/render/render.html#saving 
> >

Also, a short Python script could be used for this:

from chimera import openModels, Molecule
for m in openModels.list(modelTypes=[Molecule]):
	for r in m.residues:
		print r, r.chi1

If you save the above in a file ending in .py and open it in Chimera  
(e.g. File...Open, or the "open" command) then the chi1 angles of all  
residues will be printed to the reply log.

--Eric


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://plato.cgl.ucsf.edu/pipermail/chimera-users/attachments/20100413/9f752baf/attachment.html>