Re: [PyMOL] PyMOL/CEAlign for Windows

2009-12-11 Thread Christoph Gohlke
On 12/11/2009 2:40 AM, MyLinkka wrote: Thanks! It works nicely here! One thing I want to ask is Is there a way to make file association? e.g. associate *.pdb with pymol. Ting To associate PyMOL with PDB files, adjust the Python and PyMOL paths in the attached PDB_file.reg registry file and

[PyMOL] Help Needed

2009-12-11 Thread Kousik Kundu
Dear Sir, I, Kousik Kundu, am a Ph.D student at university of Freiburg, Germany. I am using Pymol for my recent work. I need to to the amino acids involve in an interaction. For example 1BM2 (PDB id) is a complex of a SH2 domain and a small peptide. Here i want to know which amino acids

Re: [PyMOL] Help Needed

2009-12-11 Thread Thomas Juettemann
Dear Kousik, Sue Jones PROTORP server should do the trick: http://bioinformatics.sussex.ac.uk/protorp Cheers, Thomas On Wed, Dec 9, 2009 at 14:57, Kousik Kundu kou...@informatik.uni-freiburg.de wrote: Dear Sir,         I, Kousik Kundu, am a Ph.D student at university of Freiburg,

Re: [PyMOL] Help Needed

2009-12-11 Thread Jason Vertrees
From a purely structural perspective you can look at the interface residues script on the PyMOLWiki: http://pymolwiki.org/index.php/InterfaceResidues The interface could be detected by run /path/to/interfaceResidues.py fetch 1bm2 interfaceResidues 1bm2, c. A, c. L But, you

Re: [PyMOL] PyMOL/CEAlign for Windows

2009-12-11 Thread Christoph Gohlke
That will work for the official PyMOL distribution only. PymolWin is not in the public SVN repository and the registry file is easier to use in computer lab environments. Christoph On 12/11/2009 12:38 PM, Thomas Stout wrote: A perhaps easier way is to right-click on a pdb file with the mouse

Re: [PyMOL] PyMOL/CEAlign for Windows

2009-12-11 Thread Thomas Stout
A perhaps easier way is to right-click on a pdb file with the mouse and choose Open with... In that sub-menu select Choose program. In the subsequent window that appears, select PymolWin as the program you want to open the PDB file with AND then also check the box underneath that says Always use