[PyMOL] Re: Need advice on graphic card

2003-11-12 Thread Dr. Daniel James White PhD
Hi, I have 2 monitors running out of an ATI Radeon 8500 on redhat 8.0 using the summit accelerated Xserver from Xig.com for hardware stereo on one of the monitors. I use the dual view function, so 1 big desktop (1 "screen" on 2 monitors) Very hardware accelerated! cheers Dan On 12 Nov

[PyMOL] Re:labeling atoms in GUI

2003-11-12 Thread Eric Hu
Warren, I want to be able to use those useful definations every time I load pymol. I wonder how to edit the general startup script pymol in order to do that? By the way, I also want pymol to show distance when I click two atoms. Thank you. Eric > Quoting "Warren L. DeLano" > : > > > Richard, >

Re: [PyMOL] Re: Need advice on graphic card

2003-11-12 Thread Yu Chen
I just tried Summit Xserver, it is definitly a looot fast. But ... in single head mode. They claim they support Matrox Millennium G450 multihead. In dual view 1600x1200 mode, the pymol won't lanuch, gave out: GLUT: fatal error in pymol, visual with neccessary capbilities not found. But in dual vi

RE: [PyMOL] Re:labeling atoms in GUI

2003-11-12 Thread Warren L. DeLano
Eric, PyMOL will source startup files in your home directory -- just put your commands in there: On Mac/Unix: $HOME/.pymolrc (for PyMOL commands) $HOME/.pymolrc.py (for Python code) On Windows: %HOMEPATH%\pymolrc(for PyMOL commands) %HOMEPATH%\pymorc.py (for Python code) T

[PyMOL] clipping

2003-11-12 Thread Robert
Robert Schwarzenbacher, PhD The Joint Center for Structural Genomics phone: 858 822 3637 Hi there, Is there a way to define the clipping planes for only one object in a scene. For example I only want to clip the surface while not affecting residues shown in stick. Or alternatively is there a w

[PyMOL] surface area calculation

2003-11-12 Thread Harp, Joel M
Is it possible to get pymol to calculate surface area for a defined object? For instance, can it calculate surface area occupied by arginines. Thanks, Joel Joel M. Harp Vanderbilt University

Re: [PyMOL] surface area calculation

2003-11-12 Thread Kaushik Raha
To calculate surface area for a defined object from the PyMOL command line type: print cmd.get_area("obj") where obj is the name of your object. for arginines: create ARG, resn ARG print cmd.get_area("ARG") Kaushik. On Wednesday, November 12, 2003, at 05:10 PM, Harp, Joel M wrote: Is it

RE: [PyMOL] surface area calculation

2003-11-12 Thread Warren L. DeLano
Joel, Yes, PyMOL does have this capability, but it is immature and not routinely validated. The basic concepts are: 1) "get_area selection" command will return the effective surface area of the dots that you would see from "show dots, selection". This is a discrete approximation -- not an ex

RE: [PyMOL] surface area calculation

2003-11-12 Thread Warren L. DeLano
Close, but it depends on whether you want the surface area of the residues alone, or in the context of the molecule. load protein.pdb get_area resn arg will be less than create arg_object, resn arg get_area arg_object This is because the first example will give you only the exposed area of

[PyMOL] N-Terminal hydrogens with Chempy

2003-11-12 Thread Kaushik Raha
Hi Warren, I found out that it is possible to write out AMBER style atom name formats with hydrogens added using the Chempy which is pretty neat. However it seems like this does not recognize the N-terminal residue for adding hydrogens. Is that still the case? I am still using PyMOL 088 (I w