RE: [PyMOL] mutagenesis via python?

2006-04-28 Thread Warren DeLano
Noel, I think you will need make a copy first and mutate the copy for something like this to work. That is essentially what the mutagenesis wizard does, if I recall correctly. Cheers, Warren -- Warren L. DeLano, Ph.D. Principal Scientist . DeLano Scientific LLC . 400 O

Re: [PyMOL] D-ala

2006-04-28 Thread Robert Campbell
Hi Orla, * Orla O'Sullivan [2006-04-28 11:37] wrote: > > Is there any way to change an L-alanine to a D-alanine in pymol Sure. In the "build" menu there is an entry: Invert (pk2)-(pk1)-(pk3) [Ctrl-E] pk1 is the atom whose configuration is to be inverted. pk2 and pk3 are the two atoms atta

RE: [PyMOL] Nvidia Quadro/stereo emitter sync problem on Fedora 5

2006-04-28 Thread Mikko Huhtala
Mikko Huhtala writes: > > If so, I guess it must be a bug in the new driver? If not, here's a wild > > shot: I tried to connect some older Stereographics emitters to our > > Quadro FX3000 cards, and that didn't work. After some investigation, I > > found out that the old emitters required 1

[PyMOL] D-ala

2006-04-28 Thread Orla O'Sullivan
Hi Is there any way to change an L-alanine to a D-alanine in pymol Orla Dr.Orla O'Sullivan Research Officer Biotechnology Moorepark Food Research Centre Teagasc Moorepark Fermoy, Co. Cork Ireland Tel: +353 - (0)25 - 42344

[PyMOL] mutagenesis via python?

2006-04-28 Thread Noel Faux
Hi all, I'm in the process of creating a plugin for pymol, however I've hit a small wall. Is there a series of python calls I can make in my code to perform a mutation without the loss of the original residue? I've tried to follow the commands the wizard returns but I'm unable to follow what