Re: [PyMOL] incompletely drawn cartoon strands

2008-10-10 Thread Daniel Rigden
heers, > Warren > > -- > DeLano Scientific LLC > Subscriber Support Services > mailto:supp...@delsci.com > > > -Original Message- > From: Daniel Rigden [mailto:drig...@liverpool.ac.uk] > Sent: Thursday, October 09, 2008 3:20 AM > To: pymol-users@lists.source

[PyMOL] incompletely drawn cartoon strands

2008-10-09 Thread Daniel Rigden
Dear all I've just extracted a region of B sheet from a structure to produce a session for teaching purposes. To my surprise, when I created an object from the four distinct stretches making up the sheet, PyMOL redrew the previously complete strands in a very incomplete way (attached). When I co

Re: [PyMOL] python/pymol malfunction on new Ubuntu installation

2008-07-22 Thread Daniel Rigden
rors, there is little chance of PyMOL > building or running correctly. > > Cheers, > Warren > > -Original Message- > From: pymol-users-boun...@lists.sourceforge.net > [mailto:pymol-users-boun...@lists.sourceforge.net] On Behalf Of Daniel Rigden > Sent: Tuesda

Re: [PyMOL] python/pymol malfunction on new Ubuntu installation

2008-07-22 Thread Daniel Rigden
py > > Cheers, > Warren > -- > DeLano Scientific LLC > Subscriber Support Services > mailto:supp...@delsci.com > > > -Original Message- > From: pymol-users-boun...@lists.sourceforge.net > [mailto:pymol-users-boun...@lists.sourceforge.net] On Behalf Of

Re: [PyMOL] python/pymol malfunction on new Ubuntu installation

2008-07-22 Thread Daniel Rigden
aniel On Tue, 2008-07-22 at 16:54 +0200, Michael Banck wrote: > On Tue, Jul 22, 2008 at 03:38:53PM +0100, Daniel Rigden wrote: > > First let me confess that my problem does not just involved pymol. > > However, it is hampering my use of pymol amongst other things and there > > m

[PyMOL] python/pymol malfunction on new Ubuntu installation

2008-07-22 Thread Daniel Rigden
Dear all First let me confess that my problem does not just involved pymol. However, it is hampering my use of pymol amongst other things and there must be many python experts who read this list. My problem, on a completely fresh Ubuntu 8.04 install, is that python can find modules when asked to

Re: [PyMOL] Morphing movie

2007-02-28 Thread Daniel Rigden
Hi Clara Try set ribbon_trace_atoms, 1 or set cartoon_trace_atoms, 1 Daniel On Wed, 2007-02-28 at 10:10 +0100, Clara Marco wrote: > Hi! > I'm trying to build a morphing movie to show the transition between > two conformational states of a protein. I've run morphing with > program LSQMAN, wh

[PyMOL] workaround for 'atom name problem with apbs plugin'

2006-07-18 Thread Daniel Rigden
Dear all After following the suggestion to try apbs at the command line and some googling, I found that the problem was that new-ish apbs 0.4 was expecting a new keyword 'sdens' that my slightly old apbs plugin for PyMol was not outputting. http://sourceforge.net/mailarchive/forum.php?thread_id=9

Re: [PyMOL] atom name problem with apbs plugin

2006-07-18 Thread Daniel Rigden
Hi Pete Thanks for the idea. In fact adding a chain ID doesn't make any difference in this case. Based on a mail from Kostas Tripsianes I successfully used the pdb2pqr server to get a pqr file independently to feed to the plug-in. I got a good looking pqr file but when I try to run apbs, after

[PyMOL] atom name problem with apbs plugin

2006-07-17 Thread Daniel Rigden
Dear all I've used PyMol with the APBS plugin successfully with other structures but now it's giving problems with a model structure (made with Rosetta then SCWRL). I set up the grid and then press run and the plug-in zips around the structure making a pqr file. However, I get an error message s

Re: [PyMOL] installation problem on XP laptop

2006-02-07 Thread Daniel Rigden
Dear Pete Thanks for the help. The one that didn't work was the standard 0.99, not a beta version - pymol-0_99rc1-bin-win32.zip. As you suggested, the earlier 0.98 - pymol-0_98rc5-bin-win32.zip *does* work so I'm up and running. I guess others will know the ins and outs of the error. Daniel

Re: [PyMOL] Raytracing interior surfaces. Problems in both PyMol and PovRay

2005-11-23 Thread Daniel Rigden
Hi Jacob In Pymol, have you tried adding in a direct light source? e.g. set direct, 0.5 It worked nicely in a similar situation for me Daniel On Wed, 2005-11-23 at 11:42 +0100, Jacob Poehlsgaard wrote: > Hi folks > > > > I’m trying to visualize a section of the inner workings of the > rib

Re: [PyMOL] Re: PyMOL] PyMOL + APBS for easy, accurate electrostatics calculations

2004-07-16 Thread Daniel Rigden
This strategy seems to work for Mandrake 9.1 too, BTW. Daniel On Thu, 2004-07-15 at 11:26, Marc Saric wrote: > -BEGIN PGP SIGNED MESSAGE- > Hash: SHA1 > > | Hi all, > | > | APBS (http://agave.wustl.edu/apbs/) is a package that allows you to > | perform very fast, accurate electrostatics

[PyMOL] sequence viewer problem on some PDB files

2004-07-16 Thread Daniel Rigden
Hi It looks to me as if there is a glitch in the sequence viewer for some PDB files like 4PFK. The symptom is that waters get mixed up among the protein sequences as in the snapshot here http://pcwww.liv.ac.uk/~drigden/dross.png If you write the structure out again you get things like this ATO

[PyMOL] sequence visualisation bug ?

2004-07-15 Thread Daniel Rigden
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 -- Dr Daniel John Rigden Tel:(+44) 151 795 4467 School of Biological Sciences FAX:(+44) 151 795 4414 Room 101, Biosciences Buildi

Re: [PyMOL] PyMOL + APBS for easy, accurate electrostatics calculations

2004-07-15 Thread Daniel Rigden
Hi all I've been trying to install apbs to use this new plugin, as I imagine a lot of people will want to. I run into a problem in the compilation which I wonder if anyone can help with. [I know this is not strictly a Pymol question but given the general interest perhaps I can be excused. There

Re: [PyMOL] showing sequence conservation on the surface

2004-05-21 Thread Daniel Rigden
Hi Camille The Espript server is the easiest way I know. Go here http://prodes.toulouse.inra.fr/ESPript/cgi-bin/ESPript.cgi choose Execute then Expert mode. SUpply an alignment and a supplementary pdb file then execute. You get back an annotated alignment + the pdb file with a conservation sc

Re: [PyMOL] Re: PyMOL-users digest, Vol 1 #408 - 11 msgs

2003-09-10 Thread Daniel Rigden
Hi Alan Thanks for the tip! Taking the tar route rather than the rpm one makes installation trivial on Mandrake 9.1. I'm even more impressed to see that PYMOL automatically detects both processors so rendering is just phenomenally fast. Cheers Dan On Tue, 2003-09-09 at 20:48, a...@lac.inpe.br