RE: [PyMOL] Linux Beta Version with Sequence Viewer

2004-05-19 Thread Andrew Fant
Warren. I can't speak to the alignment tools, as I don't spend a lot of time in homology model building, but I would like to second the idea of adding the selection keywords. They would make my use of pymol that much easier. Andy --On Wednesday, May 19, 2004 09:32:17 -0700 Warren DeLano

RE: [PyMOL] Linux Beta Version with Sequence Viewer

2004-05-19 Thread Warren DeLano
I'm a big fan of choice and suggest we have multiple options: 1) only show biopolymers with standard 1-letter codes, O for water, X for others. 2) mix known abbreviations and full 3-letter codes with visual cues. 3) full residue names (up to 4 letters allowed) 4) chains 5) segments [rarely used no

RE: [PyMOL] Creating a .pymolrc file in Windows

2004-05-19 Thread EPF (Esben Peter Friis)
LOL... I found a very complex solution to a simple problem :-) yes, pymolrc (without the dot) also works :-) Cheers, Esben -Original Message- From: pymol-users-ad...@lists.sourceforge.net To: EPF (Esben Peter Friis); pymol-users@lists.sourceforge.net Cc: TAPO (Thomas Agersten Poulsen)

RE: [PyMOL] Creating a .pymolrc file in Windows

2004-05-19 Thread Warren DeLano
Actually, this too was anticipated ; ). On Windows: for PyMOL commands, simply use pymolrc (no extention -- I suppose pymolrc.txt or pymolrc.pml would've made more sense...) or for Python code: pymolrc.py pymolrc.pym Cheers, Warren -- mailto:war...@delanoscientific.com Warren L.

[PyMOL] Creating a .pymolrc file in Windows

2004-05-19 Thread EPF (Esben Peter Friis)
Hi PyMOLers Seems like it is somewhat difficult to create a .pymolrc file in Windows (whatever version). The standard Windows explorer file browser simply doesn't accept this as a filename. The workaround is to call the file something else, eg. pymolrc.txt and put the desired commands in it u

RE: [PyMOL] Linux Beta Version with Sequence Viewer

2004-05-19 Thread EPF (Esben Peter Friis)
I think it would make sense to include everything (ions, waters etc.) in the 3-letter residue view. This is straightforward, as the codes can be taken directly from the PDB file, so PyMOL does not need to recognize them. It may be necessary to allow for 4-letter codes also? But in the 1-letter

RE: [PyMOL] Updated OpenGL Hardware Recommendations

2004-05-19 Thread Warren DeLano
Just an FYI for people trying to set up projection stereo on a budget... Version 0.96beta2 included additional changes to facilitate this, and some specific instructions for configuring PyMOL to work in dual-screen (passive) stereo mode can be found on the bottom of the beta-release page. http:

[PyMOL] pymol/apbs plugin rpm

2004-05-19 Thread Cameron Mura
Hi, Those of you interested in APBS-based electrostatics in PyMOL via Michael Lerner's plugins may be interested in an RPM available at "http://mccammon.ucsd.edu/~cmura/PYMOL_examples/pymol-0.96apbs-2rh90.i386.rpm";. It is basically a CVS snapshot of a recent version of PyMOL (v0.96beta5; 05/

RE: [PyMOL] Linux Beta Version with Sequence Viewer

2004-05-19 Thread Warren DeLano
Thanks for the input. > * sequence colors could (optionally?) match atom (C-alpha) > colors in the 3D view. Good idea. > * When a 3D-alignment is done, there is a sequence alignment behind. > Having this transferred to the sequence window would be > extremely useful. Planned -- but this i

[PyMOL] how to launch gui

2004-05-19 Thread Aidong Han
Dear all, Recently I have a problem to launch external gui which should appear by default.I want to know if there is any way to launch it manually. Thank you Sincerely, Aidong

RE: [PyMOL] electrostatic

2004-05-19 Thread Yu Chen
PyMOL takes care of this, thanks again Warren! > > Are you using the same platform for both Grasp and Pymol? I don't think > that big-endian maps (written by an SGI computer) can be read by a > little-endian platform, such as a x86 based PC. === Yu Chen H

RE: [PyMOL] Linux Beta Version with Sequence Viewer

2004-05-19 Thread EPF (Esben Peter Friis)
Hi Warren This is GREAT! I was going to suggest this for the future development, but (as usual :-) you're ahead. Very good points: * possible to chose between atoms/1-letter residues/3-letter residues etc. * The background color of the scrollbar area shows a complete overview of the selectio

RE: [PyMOL] Ball & Stick representation

2004-05-19 Thread EPF (Esben Peter Friis)
I have mad a lot of these pictures, and the solution is to create two objects for the substrate. object1, displayed as sticks in the desired color, and object2 dipslayed as spheres in the desired color(s) and then "set sphere_scale, 0.3, object2" Example (if the file contains a residue named "N

RE: [PyMOL] electrostatic

2004-05-19 Thread EPF (Esben Peter Friis)
Are you using the same platform for both Grasp and Pymol? I don't think that big-endian maps (written by an SGI computer) can be read by a little-endian platform, such as a x86 based PC. - Esben > > The problem is getting the phi map in grasp. Can somebody > explain me how to do it? > > This