RE: [PyMOL] electrostatic surface

2003-12-16 Thread Todd Geders
Hello all, Here is a simple script that automates the electrostatic potential surface generation using Gromacs, MEAD, and Pymol for visualization. It's exclusively based off of the post by Esben Peter Friis: http://sourceforge.net/mailarchive/forum.php?forum_id=60&max_rows=25&style=flat&viewmonth

[PyMOL] adjust surface?

2003-12-16 Thread Ann Mullin
Hello, I have been using PyMol for a few months now, and I am wondering if I can adjust the radius about which the surface is calculated. I have a very large protein (28,000 atoms) to model, and I would like to be able to create a more evenly rounded surface. Not "realistic" perhaps, but e

[PyMOL] cannot print most of user manual pdf

2003-12-16 Thread Michael Bovee
Hi there, Trying to make myself a desk copy of the user manual is proving to be a pain. I can print the text of the table of contents, but anything with screen shot graphics never prints from our new HP2300 (48MB of memory). The refman pdf printed fine, but this userman pdf file seems corrupted

RE: [PyMOL] electrostatic surface

2003-12-16 Thread Warren L. DeLano
Ruslan, PyMOL can't yet calculate the electrostatic surface, but it can display the potential as output by Grasp, Delphi, MEAD, or Zap. Cheers, Warren -- mailto:war...@delanoscientific.com Warren L. DeLano, Ph.D. Principal Scientist DeLano Scientific LLC Voice (650)-346-1154 Fax (650

[PyMOL] How to assign .pse files to the OSX PyMOL app?

2003-12-16 Thread Michael Bovee
Hi, I want to assign my pymol sessions to automatically open using the new OSX-native pymol 0.93, but I cannot select the app from GetInfo > OpenWith. It is greyed-out. Is there a command line way to do this? thanks, --Michael

[PyMOL] assign secondary structure?

2003-12-16 Thread Michael Bovee
On Thursday, December 11, 2003, at 05:47 PM, Warren L. DeLano wrote: ...PyMOL (like other programs) simplifies the secondary structure concept down to a per-residue property. There is no such thing as a sheet or helix in PYMOL, but merely sets of proximal residues with a secondary structure pr

[PyMOL] electrostatic surface

2003-12-16 Thread Sanishvili, Ruslan
Hi all, Inexplicably, I haven't been following the PyMol news lately. Does it now calculate and display the electrostatic fields/surfaces of proteins (a la GRASP, or similar)? If it does, starting from which version? Thanks, Nukri Ruslan Sanishvili (Nukri), Ph.D. GM/CA-CAT, Bld. 436, D007 Biosci