het_dict = {}
cmd.iterate('het', 'het_dict[resn]=None')
print het_dict.keys()
--
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> -----Original Message-----
> From: pym...@li...
> [mailto:pym...@li...] On Behalf
> Of Martin Weisel
> Sent: Thursday, October 04, 2007 10:30 AM
> To: pym...@li...
> Subject: [PyMOL] identification of residue names
>
> Hi there,
>
> how can I collect the identifiers contained in a pdb-file in
> a list, so that there is one identifier for EACH residue -
> even if multiple ligands have the same name.
>
> When I iterate over 'het', lots of identifiers are added to
> my list - one for each atom.
> list =[]
> cmd.iterate('het', 'list.append(resn)')
>
> How can I count the occurrence of residues with identical
> names - especially when they are assigned to the same chain?
>
> Cheers,
> Martin
>
> --
> Dipl. Bioinf. Martin Weisel
> Beilstein Endowed Chair for Cheminformatics Institute of
> Organic Chemistry & Chemical Biology Johann Wolfgang
> Goethe-University Siesmayerstr. 70
> D-60323 Frankfurt am Main, Germany
>
> Phone: +49 69 798 24879
> URL: www.modlab.de
>
>
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