Re: [PyMOL] taking snapshots from a script

2010-05-07 Thread Paul Rigor (uci-ics)
Great! Looks like a good start. The session log is a good resource too. Thanks again, Paul On Thu, May 6, 2010 at 11:32 PM, Jason Vertrees wrote: > Paul, > > PyMOL is pretty good at this kind of thing and you can automate it at > various levels (eg. bash/shell script level, inside PyMOL using P

Re: [PyMOL] Autodock plugin

2010-05-07 Thread Michael Banck
Hi, On Tue, Feb 16, 2010 at 08:26:00PM +0100, Daniel Seeliger wrote: > take a look into > ~/.ADplugin/pymol_autodock_plugin.conf > and set the path to the autodocktools scripts correctly. Then the plugin > should find them. Speaking of which, I was just taking a look about including your autodo

Re: [PyMOL] PC based docking program!

2010-05-07 Thread Jed Goldstone
Autodock VINA works fine in Windows. The PyMOL Autodock plugin does not, however. There are some issues with Windows-based file naming and handling that I cannot figure out. The author, Daniel Seeliger, has been doing developing on a Linux system and does not have a Windows machine for testing.

Re: [PyMOL] PC based docking program!

2010-05-07 Thread Sabuj Pattanayek
Try hex: http://www.loria.fr/~ritchied/hex/ On Fri, May 7, 2010 at 6:48 AM, Sona Vasudevan wrote: > Hello All, > > I would greatly appreciate if anyone can suggest a PC based docking program > for teaching purposes?  I am trying ArgusLab, but that seems too unstable. > > Thanks much! > > Sona > -

Re: [PyMOL] PC based docking program!

2010-05-07 Thread Deepangi Pandit
Hi Sona: You could try Autodock VINA. Please check the link below for details. http://vina.scripps.edu/ Deepa On Fri, May 7, 2010 at 7:48 AM, Sona Vasudevan wrote: > Hello All, > > I would greatly appreciate if anyone can suggest a PC based docking program > for teaching purposes? I am trying

[PyMOL] PC based docking program!

2010-05-07 Thread Sona Vasudevan
Hello All, I would greatly appreciate if anyone can suggest a PC based docking program for teaching purposes? I am trying ArgusLab, but that seems too unstable. Thanks much! Sona --

Re: [PyMOL] label

2010-05-07 Thread Jason Vertrees
Gauri, Are you looking for a script that will locate contiguous stretches of a alpha-helical residues and then label one of the atoms in that helix with the helix's ordinal number? If so, nothing like this exists yet, but it would be a cool little script to write. Cheers, -- Jason On Thu, May