Re: [PyMOL] identification of residue names

2007-10-20 Thread Tsjerk Wassenaar
Hi, I wouldn't use "list", since that's a python keyword :S Use "reslist" or something. Cheers, Tsjerk On 10/19/07, Piter_ wrote: > > Hi Martin > May be this will help: > > from sets import Set > list =[] > cmd.iterate('het', 'list.append(resn)') > residname =Set(list) > print residname > > Be

Re: [PyMOL] identification of residue names

2007-10-19 Thread Piter_
Hi Martin May be this will help: from sets import Set list =[] cmd.iterate('het', 'list.append(resn)') residname =Set(list) print residname Best. Petro 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 mul

Re: [PyMOL] identification of residue names

2007-10-04 Thread DeLano Scientific
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 fo