[chimera-dev] [Chimera-users] PDB data
pett at cgl.ucsf.edu
Thu Apr 2 14:29:00 PDT 2009
You can find out about the (C++) attributes/methods of a class by
using help() in the IDLE interpreter, e.g.:
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
UCSF Computer Graphics Lab
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')
> 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 at cgl.ucsf.edu
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