Re: [PyMOL] PyMOL help

2012-03-20 Thread Genedoc
Hani, You can these GUI commands: A (Action)---preset---ligand sites or A---find---polar contacts Hope this helps you! Peter syed.abidi skrev 2012-03-19 12:19: > Dear All, > > I have a small query regarding PyMol and I would appreciate if you can help > me with it. My query is: > > How do I a

Re: [PyMOL] PyMOL help

2012-03-19 Thread Thomas Holder
Hi Hani, with PyMOL you can visualize polar contacts, using the "distance" command with "mode=2" argument. See the PyMOLWiki page: http://pymolwiki.org/index.php/Distance Example: distance interface, chain A, chain B, mode=2 However, this is not really a analysis of the interface. Instead I wo

[PyMOL] PyMOL help

2012-03-19 Thread syed . abidi
Dear All, I have a small query regarding PyMol and I would appreciate if you can help me with it. My query is: How do I analyze interactions with PyMol after I have docked my files? I wanted to know which molecules/amino acids are interacting in the docked confirmation. I would really apprecia

Re: [PyMOL] PyMOL Help

2010-07-13 Thread Jason Vertrees
Hi Matthew, You can specify a chain with "chain X" or the abbreviated "c. X" where X is the chain identifier. In your case, # select residue 2 from chain E select catalytic, resi 2 and chain E # same as above select catalytic, i. 2 and c. E For more help, see the PyMOLWiki (http://www.pymolwik

Re: [PyMOL] PyMOL Help

2010-07-13 Thread João Rodrigues
Hello Matthew, You write something like and chain A. To select chain A. In your case, doing select catalytic, resi 2 and chain E should do the trick Best! João [...] Rodrigues @ http://doeidoei.wordpress.org On Tue, Jul 13, 2010 at 5:28 AM, Matthew Jenner wrote: > Hi PyMOL, > > This may be

[PyMOL] PyMOL Help

2010-07-13 Thread Matthew Jenner
Hi PyMOL, This may be a very simple problem to solve. How do I select chain-specific individual residues in the command line? For example: 1PSO.pdb has two chains: E and I. If I enter [select catalytic, resi 2] I get the residue I want selected BUT i also get residue 2 in the I chain selected - w