Re: [chimera-dev] [Chimera-users] PDB data
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Hi Matt, You can find out about the (C++) attributes/methods of a class by using help() in the IDLE interpreter, e.g.: help(chimera.Residue) There is also declaration of the Python-visible attributes of Atom/ Residue/etc. in the source distribution in libs/_chimera/pyinterface. The more convenient way nowadays to get pyinterface is by browsing our SVN repository, i.e. from: /trunk/libs/_chimera/pyinterface – Chimera The other thing you might want to know that seems germane to your specific query is that the PDB headers are stored in the pdbHeaders dictionary in Molecule (key: header type [e.g. REMARK], value: list of strings). --Eric Eric Pettersen UCSF Computer Graphics Lab http://www.cgl.ucsf.edu On Apr 2, 2009, at 1:23 PM, Matthew Dougherty wrote:
I was writing some python code involving PDB data.
looking at pre-existing code involving PDB:
m = om.open(pdb_path, 'PDB')[0] rlist = m.residues
for r in rlist:
lc = 'monomer residue %d' % (r.id.position) if r.isHelix: lc += ' HELIX' elif r.isSheet: lc += ' SHEET'
I was trying to track down the data structure for r/rlist, to see if there are any other parameters I could use besides isHelix, isSheet, and id.position. where would that be located in the Chimera package?
thanks, Matt _______________________________________________ Chimera-users mailing list Chimera-users@cgl.ucsf.edu http://www.cgl.ucsf.edu/mailman/listinfo/chimera-users
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Eric Pettersen