Re: [PyMOL] Conformation Editing

2002-09-26 Thread Warren L. DeLano
Yu, The conformational editing features are not fully designed nor well tested, and the documentation is still incomplete. Until the PyMOL user interface is a bit more stabilized, documentation seems premature. I am resistant to the idea of committing to a user interface which hasn't really been

[PyMOL] Conformation Editing

2002-09-26 Thread Yu Shao
Hello everyone, Does anyone know how to use the conformation editing of PyMol, or has it been implemented? It's unclear from the menual, which just said that "Sorry, no documentation yet -- these features won't be too useful until PyMOL is coupled up with an energy minimiation engine." Any infomat

[PyMOL] Stereo3D hardware recommendation

2002-09-26 Thread lonely lamp
Hello there, I plan to purchase a new graphics card and a pair of stereo glasses to be used with PyMOL. My current system: Dual Althlon 1900XP / 1GB DDR memory / Geforce4 video card. Could anyone please give me some suggestions/recommendations on the following questions? Because of the mono-perfo

RE: [PyMOL] pair_fit crashes

2002-09-26 Thread DeLano, Warren
Hi Jeremy, If the proteins have significant homology, then you can use the align command: align prot1ca,prot2 which will perform a sequence alignment of prot1 against prot2, and then an optimizing fit using the CA positions. I'm not sure if the help text for align got into 0.82, but the n

Re: [PyMOL] pair_fit crashes

2002-09-26 Thread Robert Campbell
* Jeremy Craven [2002-09-26 09:59] wrote: > 2) Anyhow, (and assuming that I might want to do alignments my own way > anyhow), > I created a script which read in an alignment and created a big long pair_fit > command of the form > > pair_fit (tbr and resi 187 and name ca),(bs and resi 170 a

[PyMOL] pair_fit crashes

2002-09-26 Thread Jeremy Craven
I have been trying to write a script to overlay two arbitrary proteins via my own alignment and the 'pair_fit' command. 1) After running into the problem I described below I looked through the pymol-users mailing list as hard as I could and found a statment that such arbitrary alignment should be