[Chimera-users] Analysis of dihedral angles

Eric Pettersen pett at cgl.ucsf.edu
Tue Apr 13 10:03:35 PDT 2010

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.


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