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
