[PyMOL] Faster way to find polymer chains?

2011-01-23 Thread Seth Harris
Hi All, I am script-plowing through PDB files and extracting unique chain identifiers only for polymers using PyMOL's polymer selection. Right now my code is a kind of brute force thing like this: code cmd.create (justpolys,polymer) polymer_chains=[] for a in cmd.index(justpolys):

Re: [PyMOL] Faster way to find polymer chains?

2011-01-23 Thread Tsjerk Wassenaar
Hi Seth, So you just want to have all unique chain identifiers for the 'polymer' selection? Does the following give what you want?: polychains = set([i.chain for i in cmd.get_model('polymer')]) Hope it helps, Tsjerk On Sun, Jan 23, 2011 at 10:04 AM, Seth Harris set...@gmail.com wrote: Hi

Re: [PyMOL] Faster way to find polymer chains?

2011-01-23 Thread Tsjerk Wassenaar
Oops... That should've been: polychains = set([i.chain for i in cmd.get_model('polymer').atom]) Sorry for that. :p Tsjerk On Sun, Jan 23, 2011 at 10:32 AM, Tsjerk Wassenaar tsje...@gmail.com wrote: Hi Seth, So you just want to have all unique chain identifiers for the 'polymer' selection?

Re: [PyMOL] Faster way to find polymer chains?

2011-01-23 Thread Thomas Holder
Hi Seth, I think this one-liner will do the job for you: print cmd.get_chains('polymer') Cheers, Thomas Seth Harris wrote, On 01/23/11 10:04: Hi All, I am script-plowing through PDB files and extracting unique chain identifiers only for polymers using PyMOL's polymer selection. Right