Re: [PyMOL] manipulate standard error ?

2006-03-10 Thread Jules Jacobsen
Hi, If you are getting unwanted PyMOL standard errors you can turn them off using the cmd.feedback() commands: cmd.feedback('disable', 'selector', 'everything') cmd.feedback('disable', 'executive', 'everything') to turn them on again: cmd.feedback('enable', 'selector', 'everything')

Re: [PyMOL] Re:

2005-10-18 Thread Jules Jacobsen
Kostas, This command: dist name, sel1, sel2, mode=3D2 doesn't work because the move value should be a whole number ie. 1,2,3 etc. Also unless you have some objects actually called sel1 and sel2 you won't get anything meaningful back. something like this: dist name, resn lys, resn glu,

[PyMOL] Using a seperate python installation

2005-10-07 Thread Jules Jacobsen
Hello All, Can someone tell me wether it is possible to use a stand-alone python installation alongside the latest PyMol releases? I have a few things set up in my main python installation which an older (python free) version of Pymol was happy to use, having installed the newer version it

Re: [PyMOL] selection help + align question

2005-01-21 Thread Jules Jacobsen
all others against. Written by Jules Jacobsen (jacob...@ebi.ac.uk). Feel free to do whatever you like with this code. id = id.lower() pdbList = cmd.get_names() for entry in pdbList[:]: entry = entry.strip() if entry not in id: cmd.do('align %s, %s\n'%(entry

[PyMOL] 0.98 beta 18 Selecting bug

2004-11-23 Thread Jules Jacobsen
Subject: 0.98 beta 18 Selecting Date: Tue, 23 Nov 2004 11:05:01 + From: Jules Jacobsen jo...@hermes.cam.ac.uk To: pymol-users@lists.sourceforge.net Hi all, Has anyone else had the problem of not being able to select several identical residue types in aligned structures? eg in the .pse included

Re: [PyMOL] pymol displays c alpha as nonbonded

2004-11-15 Thread Jules Jacobsen
Hi Matthew, You want: 'set ribbon_trace,1' or 'set cartoon_trace,1' Jules Matthew Bowler wrote: Dear All, I am trying display a c-alpha model in pymol (1qo1), when the file is opened all the atoms are displayed as non-bonded. Is there a way to tell pymol that this is a c-alpha trace

[PyMOL] Swissprot

2004-10-18 Thread Jules Jacobsen
Hello List, I'm trying to make a plugin which will load various features from a swissprot entry onto a model loaded in PyMol but need to know a few things such as: Where are the sequences of the models stored in pymol and how do I retrieve them? Are these taken from the ATOM or SEQRES

Re: [PyMOL] sequence visualisation bug ?

2004-07-15 Thread Jules Jacobsen
Yes, I've got the same problem. Jules Daniel Rigden wrote: Hi all When I visualise sequences, all Glu residues (as well as all Asp residues) are shown as D! Has anyone else seen this? Daniel

Re: [PyMOL] problem in installation

2004-04-06 Thread Jules Jacobsen
Yes, i've had the same problem too. Jules On Mon, 5 Apr 2004, Tom Lee wrote: I have trouble installing PyMOL using pymol-0_95-bin-win32-py23.zip. Here is the message I got. The installer is unable to locate Python. Python must be installed before PyMOL. Do you wish to abort? I have

[PyMOL] Further functionality

2003-07-08 Thread Jules Jacobsen
Hi Warren, I was just wondering about a few features that pymol is currently lacking and if/when you were planning on implementing them. 1- calculation of surface potentials- will this be coming soon? 2- Are you thinking of including any kind of sequence viewer and sequence alignment tools

Re: [PyMOL] Re: fitting and seq. alignment

2003-02-19 Thread Jules Jacobsen
I agree, what are the exact criteria for fitting in pymol? Currently i'm using SwissPDB viewer for quick fitting as this is pretty robust and usually comes up with something sensible. This is satisfactory for viewing but saving a swiss pdb fit for use in pymol is not. Pymol still seems to have

Re: [PyMOL] Inter-PyMOL communication?

2003-02-13 Thread Jules Jacobsen
Wouldn't an easier way to do this be to have a command whereby you tell pymol to rotate/translate all seperate molecules relative to their own centres rather than the group or last loaded molecule centre as it does currently? That way you only need one pymol open and wouldn't need to have a

Re: [PyMOL] graphics performance

2003-01-08 Thread Jules Jacobsen
Hi Dirk This might actually be a hardware affect rather than a software effect. The GeForce4 is undoubtably quicker that the GeForce 2 bu there comes a time when the actual CPU is lagging behind in the amount of data it can pass to the GPU- this also includes other limitations such as the

Re: [PyMOL] multiple objects

2002-12-10 Thread Jules Jacobsen
Hi Michael, If I understand you right you already can do this- make sure that no atoms are selected first then click on the mouse menu so that when you press 'shift' RotF and MovF are implemented. Then all you have to do is move the mouse over the molecule you want to move/rotate whilst holding

Re: [PyMOL] multi-chain pdb (+ clipping)

2002-11-29 Thread Jules Jacobsen
Hi Luca, To create new objects of chains try this: select R= chain R this will create an object named R from the atoms of chain R. Where chain R is specified in the PDB file. Sorry, i can't help with the Z-plane clipping thing. Jules On Fri, 29 Nov 2002, Luca Fenu wrote: dear Pymolers,

Re: [PyMOL] settings of ribbons and cartoons

2002-11-25 Thread Jules Jacobsen
Hi Kristl The problem is that the secondary structure of your protein hasn't been defined in the PDB file. This is why the cartoon looks ike a tube. What you need to do is type util.ss into the command line and this will calculate some sort of secondary structure for you although it's not that