het_dict = {}
cmd.iterate('het', 'het_dict[resn]=None')
print het_dict.keys()-- DeLano Scientific LLC Subscriber Support Services mailto:del...@delsci.info "Not yet a PyMOL Subscriber, but want to support the project? Email sa...@delsci.com to quote your lab, school, or employer. Thank you for sponsoring this open-source endeavor!" -WLD > -----Original Message----- > From: pymol-users-boun...@lists.sourceforge.net > [mailto:pymol-users-boun...@lists.sourceforge.net] On Behalf > Of Martin Weisel > Sent: Thursday, October 04, 2007 10:30 AM > To: pymol-users@lists.sourceforge.net > 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 > > > -------------------------------------------------------------- > ----------- > This SF.net email is sponsored by: Splunk Inc. > Still grepping through log files to find problems? Stop. > Now Search log events and configuration files using AJAX and > a browser. > Download your FREE copy of Splunk now >> > http://get.splunk.com/ _______________________________________________ > PyMOL-users mailing list > PyMOL-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/pymol-users
