[Chimera-users] Analysis of dihedral angles

sette at uniroma2.it sette at uniroma2.it
Tue Apr 13 11:07:52 PDT 2010


I used suggestion a) of Elaine for distances and the script of Eric  
for the angles.
both work fine :))
Thanks a lot!!!!

Quoting "Eric Pettersen" <pett at cgl.ucsf.edu>:

> 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

Dr.Marco Sette, Ph.D.

Department of Chemical Sciences and Technology
University of Rome, "Tor Vergata"
via della Ricerca Scientifica, 00133, Rome, Italy
e-mail:        sette at uniroma2.it
e-mail:        m77it at yahoo.it
Tel.:          +39-0672594424
Fax:           +39-0672594328

This message was sent using IMP, the Internet Messaging Program.

More information about the Chimera-users mailing list