Re: [PyMOL] getting lists of resn, resi, and atom ID of a selection.
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: 613-533-6821Fax: 613-533-2497 robert.campb...@queensu.cahttp://pldserver1.biochem.queensu.ca/~rlc
[PyMOL] How do I handle pmw virtual package for pymol 1.0 on Mac OS 10.4.10?
Hi Everyone, I have been successfully using pymol 0.99 (open source version) on my Mac (dual G5) for a while now and am trying to upgrade to version 1.0. I can install and compile the program under the Fink environment. When I try to run the program I get an error message that basically says that the program can't find pmw. Now, I realize that this is a dependency- so I checked with fink to see what was installed EXACTLY (since I thought it was installed already). What is specifically installed is: Pmw-py22 Pmw-py23 Pmw-py24 And Fink says that pmw is installed, but it is a virtual package, where the previously mentioned packages are actually the ones that provide the widgets. What's the best way to work around this? How can I get the old pmw package under fink? Thanks in advance, Lorraine -- ~~ Lorraine Cavanaugh, Ph. D. Postdoctoral Research Associate Hunt Lab Department of Biological Sciences Columbia University New York, NY lc2...@columbia.edu lo...@biology.columbia.edu mayaguezco...@gmail.com
