Dear Tomoko, On Tue, 18 Sep 2007 21:40:34 +0900 (JST), Tomoko Niwa <outp...@yahoo.co.jp> wrote:
> Dear all > > I am a beginner in Python programming. > I would like to get lists of resn (residue names), resi (residue > identifiers) and atom ID of a selection. > For example, in case of 1IEP_organic; > [STI, STI], [201, 202], and [4639, 4640, 4641, …..] for resn, resi, and > atom ID, respectively. You can use the iterate command to get this. If you have a particular selection called "1IEP_organic" then you can type this at the PyMOL prompt: iterate 1IEP_organic, print resn, resi, name If you want to print it in a more nicely formatted manner you could do: iterate 1IEP_organic, print "%4s %4s %4s" % (resn,resi,name) Cheers, Rob -- Robert L. Campbell, Ph.D. Senior Research Associate/Adjunct Assistant Professor Botterell Hall Rm 644 Department of Biochemistry, Queen's University, Kingston, ON K7L 3N6 Canada Tel: 613-533-6821 Fax: 613-533-2497 <robert.campb...@queensu.ca> http://pldserver1.biochem.queensu.ca/~rlc
