[PyMOL] BEWARE: recent nVidia drivers

2005-04-20 Thread Warren DeLano
Folks, You may have seen some related messages go by on the PyMOL and/or VMD mailing lists, but just to reiterate: If you have nVidia graphics hardware, PLEASE avoid updating your nVidia graphics drivers for the time being. The 7-series (e.g. 71.74) simply do not work with PyMOL, VMD, and other

RE: [PyMOL] atom selection: wildcard

2005-04-20 Thread Warren DeLano
Doug, > select oxy, name o* should be select oxy, elem o FYI: The very latest betas have wildcards enabled for atom names, so in fact your original idea will work in future PyMOL versions. http://www.delsci.com Cheers, Warren -- Warren L. DeLano, Ph.D. Principal Scienti

[PyMOL] atom selection: wildcard

2005-04-20 Thread Douglas Kojetin
Hi All- Is it possible to select all oxygen atoms (backbone & sidechain) with a command similar to the following: select oxy, name o* I cannot seem to get any variation of that to work without specifying all atoms (e.g. o+oe1+oe2) Thanks, Doug

[PyMOL] atom number labels?

2005-04-20 Thread Xavier Deupi
Hi, I'm a new user, so my question is *extremely* basic... I want to display atom numbers as labels, but this property does not appear in the list of properties that can be displayed using the command 'label'. How can I do it? Thanks in advance, xavi -- Xavier Deupi, Ph.D. Department of M

RE: [PyMOL] multi cpu rendering

2005-04-20 Thread Warren DeLano
You're all right. The Python interpreter can't multiprocess, but Python threads are true operating system threads. So all you need to do is call down from Python into C or some other language, free up the global interpreter lock, and presto, you get *real* multiprocessing without every having t

[PyMOL] RE: multi cpu rendering

2005-04-20 Thread Neil Ranson
Dear All, Thanks for public and private replies alike. The "set max_threads, n" construct works a treat, giving a 3.6x speedup going from 1 to 4 cpu's. A quad opteron is now an extremely fast rendering machine indeed! Best regards, Neil.

Re: [PyMOL] multi cpu rendering

2005-04-20 Thread Kristoffer Winther Sørensen
Dear Serge, I suggest you simply make a test. > Indeed if you read the documentation of Python, you'll see that the > python byte-code interpreter is not able to run multiple thread at any > given time I don't think the PyMOL raytracer is written in Python. Furtermore, when I raytrace in PyMOL

Re: [PyMOL] multi cpu rendering

2005-04-20 Thread Serge Cohen
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Hi there; Indeed if you read the documentation of Python, you'll see that the python byte-code interpreter is not able to run multiple thread at any given time... So know what I'm not sure is if the ray tracing code of pymol is in python or anothe