[PyMOL] setting for publications

2005-04-04 Thread Alan Wilter Sousa da Silva
advance, Cheers, Alan -- -- Alan Wilter Sousa da Silva -- D.Sc. - IBCCF/UFRJ Projeto BioPAUA - HP/LNCC Petrópolis (RJ), Brasil www.lncc.br/~alan

[PyMOL] local protein contact potential

2004-12-09 Thread Alan Wilter Sousa da Silva
in advance. Cheers, Alan -- -------------- Alan Wilter Sousa da Silva -- D.Sc. - IBCCF/UFRJ Projeto BioPAUA - HP/LNCC Petrópolis (RJ), Brasil www.lncc.br/~alan

[PyMOL] RE: rendering pictures to publish

2004-12-07 Thread Alan Wilter Sousa da Silva
Thank you all for your help. Cheers, Alan -- -- Alan Wilter Sousa da Silva -- D.Sc. - IBCCF/UFRJ Projeto BioPAUA - HP/LNCC Petrópolis (RJ), Brasil www.lncc.br/~alan

[PyMOL] rendering pictures to publish

2004-12-06 Thread Alan Wilter Sousa da Silva
would be very welcome. Thanks in advance, Cheers, Alan -- ------ Alan Wilter Sousa da Silva -- D.Sc. - IBCCF/UFRJ Projeto BioPAUA - HP/LNCC Petrópolis (RJ), Brasil www.lncc.br/~alan

[PyMOL] still abou surfaces

2004-10-16 Thread Alan Wilter Sousa da Silva
surface of some drugs that we have been studied here. How about it? Or is there another alternative? Thanks in advance for any commentary. Cheers, -- -- Alan Wilter Sousa da Silva -- D.Sc. - IBCCF/UFRJ Projeto BioPAUA - HP/LNCC Petrópolis (RJ

[PyMOL] Does (PDB) size really matter? (Jason Vertrees)

2004-04-27 Thread Alan Wilter Sousa da Silva
om_count is about 85,000 for them. > > The movie script is as in the previous message. > > As of now, I'll try smaller hash_max's and also if that's not good, > reduce the size of my circular lipid bilayer. > > Many thanks for the quick response! > >

RE: [PyMOL] secondary structure and movie

2003-11-04 Thread Alan Wilter Sousa da Silva
rren L. DeLano, Ph.D. > Principal Scientist > DeLano Scientific LLC > Voice (650)-346-1154 > Fax (650)-593-4020 > > > -Original Message- > > From: pymol-users-ad...@lists.sourceforge.net > > [mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of

[PyMOL] secondary structure and movie

2003-10-31 Thread Alan Wilter Sousa da Silva
, all that said, what I want to do is loading a multi-pdb file and see dss calculating different ss for each frame. How could I do it? Cheers, - -- Alan Wilter Sousa da Silva -- B.Sc. - Dep. Física - UFPA M.Sc. - Dep. Física - PUC/RJ D.Sc. - IBCCF

RE: [PyMOL] Pymol script screenplay

2003-10-02 Thread Alan Wilter Sousa da Silva
t; by 2-3 fold if you set hash_max to 150-200. > > To answer to your second question: > > import os > os.system"(mencoder \*.png -mf on:fps=30 -o mvc1ec2.avi > -ovc lavc -lavcopts > vcodec=mpeg4:vbitrate=6000:vhq:keyint=30") > > Cheers, > Warren ---

[PyMOL] Pymol script screenplay

2003-10-02 Thread Alan Wilter Sousa da Silva
-mf on:fps=30 -o mvc1ec2.avi -ovc lavc -lavcopts vcodec=mpeg4:vbitrate=6000:vhq:keyint=30 Thanks in advance for any help. Cheers, -- -- Alan Wilter Sousa da Silva -- B.Sc. - Dep. Física - UFPA M.Sc. - Dep. Física - PUC/RJ D.Sc. - IBCCF/UFR

[PyMOL] cgo_text and number of states

2003-09-30 Thread Alan Wilter Sousa da Silva
f frames/states of a trj file (MD)? Many thanks in advance. Cheers, ---------- Alan Wilter Sousa da Silva -- B.Sc. - Dep. Física - UFPA M.Sc. - Dep. Física - PUC/RJ D.Sc. - IBCCF/UFRJ Bolsista Pesquisador LAC-INPE São José dos Campos (SP), Brasil www.lac.inpe.br/~alan

[PyMOL] Movie script

2003-09-29 Thread Alan Wilter Sousa da Silva
------ Alan Wilter Sousa da Silva -- B.Sc. - Dep. Física - UFPA M.Sc. - Dep. Física - PUC/RJ D.Sc. - IBCCF/UFRJ Bolsista Pesquisador LAC-INPE São José dos Campos (SP), Brasil www.lac.inpe.br/~alan

Re: [PyMOL] energy minimisation in python

2003-09-18 Thread Alan Wilter Sousa da Silva
//sourceforge.net/mailarchive/forum.php?thread_id=1419207&forum_id=60 > Cheers, -- -- Alan Wilter Sousa da Silva -- B.Sc. - Dep. Física - UFPA M.Sc. - Dep. Física - PUC/RJ D.Sc. - IBCCF/UFRJ Bolsista Pesquisador LAC-INPE São José dos Campos (SP), Brasil www.lac.inpe.br/~alan

Re: [PyMOL] Surface and SASA

2003-02-10 Thread Alan Wilter Sousa da Silva
Hi Dr. Warren! I know about MSMS license. Indeed, I'm suggesting an approach similar to what VMD did, i.e., it can link, run and catch results to plot, all that as a option conditioned to one gets or not MSMS installed, separately, in one's machine. Sanner had done and released a

Re: [PyMOL] Surface and SASA

2003-02-10 Thread Alan Wilter Sousa da Silva
Hi List! Dear Dr. Warren, have you consider using MSMS to generate surface in Pymol, as VMD already does? Since MSMS can generate a list too, by using another programs, I could calculate properties to each point in the mesh. So, I wonder, applying a colour method linked to such p

Re: [PyMOL] Pymol and Autodock

2003-02-06 Thread Alan Wilter Sousa da Silva
On Thu, 6 Feb 2003, Warren L. DeLano wrote: > Read-in performace would be better if you could convert your > multiligand PDB file to an SD file. Sorry, what's SD? TIA, Cheers, --- Alan Wilter S. da Silva --- Laboratório de Física Biológica Instituto de

[PyMOL] Viewing Water molecules, problems with bond

2002-03-11 Thread Alan Wilter Sousa da Silva
Hi List, I'm trying to create a image of protein/subtrate + HOH. The problem is the HOH made connections where isn't supposed to be! How can I solve this? Many thanks in advance, --- Alan Wilter S. da Silva --- Laboratório de Física Biológica

Re: [PyMOL] install

2002-03-08 Thread Alan Wilter Sousa da Silva
I think ir you install Python 2.1 or you wait Pymol compiled to Python 2.2. On Thu, 7 Mar 2002, Fei Xu wrote: > Hi! Everyone: > I am installing pymol.My versioin is 0.78 for window. I use python2.2. > When I run pymol , it saiys that it can't find python21.dll. > what should I do? does it requir

[PyMOL] About Surface

2002-03-06 Thread Alan Wilter Sousa da Silva
Hi List, PyMol is really amazing. Besides what we can do with it now, there is a great potential of evolution. I'm particularly interested in how pymol generate surface (a internal algorithm?) and how to compare it to vdW, solvent, Connolly and MSMS surfaces. Moreover, I know Del