[PyMOL] direction of rotation

2005-10-04 Thread Xavier Deupi
Hi everybody, I'm using MacPymol0.99beta14, and I've just noticed some strange behaviour: Using the mutagenesis wizard, I've changed the rotameric conformation of a residue, and I've saved the new molecule. When I open this 'new' protein, If I edit the chi1 dihedral angle (i.e. the N-CA-CB-SG,

RE: [PyMOL] Embedding pymol

2005-10-04 Thread Warren DeLano
> 2 years ago I was involved with a project where we only > wanted to use pymol as a rendering widget, but it was > impossible. Our prototype used pymol's separate window, but I > recommended that the project look for another solution > because my impression was that the pymol project was more

[PyMOL] creating objects using pymol API

2005-10-04 Thread Christian Brix Folsted Andersen
I am working on a python function that devides a structure into objects containing residues with certian properties. When I do a cmd.create on a large string (resid 1 or resid 3 or ...) pymol crashes with a segementation fault. Is there any way to add resides to an object? Instead I got the br

Re: [PyMOL] Embedding pymol

2005-10-04 Thread Filipe Maia
While I've got your attention Is it possible to embed a pymol window into a bigger independent application? I've written a PymolQt C++ class that tries to put pymol inside a QWidget and replaced the glut input functions by Qt stuff. I had to do some changes to pymol to make this work an