[PyMOL] surface/grid questions

2004-08-23 Thread castilho
Dear all, My name is Marcelo and I am a basic-level pymol user. I work with docking programs and I am trying to make pymol our default program for analysing docking results...this brings me to some questions: Is it possible to colour protein surface according to Hydrogen donor/acceptor properties

Re: [PyMOL] raytraced labels

2004-08-23 Thread Robert Lucas
What I did so that I could use the labels command was read the coordinates in twice. One copy was used for display, the second copy had no atoms/representations displays, but instead I attatched labels to the atoms on the second copy and then moved these atoms around (and thusly the labels) till t

Re: [PyMOL] rms commands

2004-08-23 Thread Michael George Lerner
Hi, I could be wrong about this, but there are a couple of very picky alignment/fitting commands in PyMOL, and I think this is one of them. If it's one of the picky ones, it'll only work if everything about the two selections looks the same. In this case, your residue ids don't match up. Can you

[PyMOL] rms commands

2004-08-23 Thread Andreas Förster
Hey all, just the other day I discovered a nifty command in pymol. rms_cur selection1, selection2 determines the deviation between two (previously aligned) selections without doing a fit. Here's what I do: rms_cur (object1 and i. 20:29 and (name c,o,n,ca)), (object2 and i. 30:39 and (name c

[PyMOL] raytraced labels

2004-08-23 Thread Ingo P. Korndoerfer
hello everybody, shouldn't it be possible to extract the proper rotation for the cgo labels from the view matrix ? i have been trying arount a few things, but was not so succesful so far. my idea was, to - extract the coordinates of the atom i want from the pdb file. either from within pymol or

[PyMOL] Fast Coloring

2004-08-23 Thread Charles Moad
I am working on a plugin that entails coloring residues based on a value. Right now creating a new color for each residue and setting the color corresponding works, BUT it is very inefficient and takes more than a tolerable amount of time to display. Is there a better approach? It is possib

Re: [PyMOL] PyMOL tutorial (moved and slightly updated)

2004-08-23 Thread Michael Banck
On Fri, Aug 20, 2004 at 09:37:00AM -0700, chuit...@interchange.ubc.ca wrote: > >In any case, you ask a useful question: I too would like to know > >what license, if any, is granted by the tutorial's authors. If > >released under an appropriate license, it could be modified for > >Linux/Unix/MacOS