Re: [PyMOL] pymol + gromacs trajectories

2004-10-19 Thread Yunfeng Hu
Thank you, Bruno and Tsjerk. I found both approaches work very well. Eric Frankly, with Pymol, people don't as far as I know. What I usually do is determine for the first frame of the individual pdb files (obtained with trjconv -sep) the orientation, viewing point and appearance. This I save

Re: [PyMOL] still abou surfaces

2004-10-19 Thread Michael George Lerner
Hi, Did you get an answer to this already? I've been swamped recently, so I haven't answered many PyMOL/APBS questions. Anyway .. I don't know anything about MSMS data and plotting surfaces, but I know a bit about PyMOL + APBS. APBS calculations (like a lot of other electrostatics calculations

[PyMOL] exporting surfaces

2004-10-19 Thread Scott Classen
Hello Peter, This is something I've been struggling with for awhile now. You can export a povray file from PyMol (just search the list archives), but at the moment that's about it. I have written a small python plugin for Blender that can import the smooth_triangles from a PyMol/povray file. O

[PyMOL] exporting surfaces

2004-10-19 Thread Peter Dudek
Dear Pymol users, Does anyone know if there is a way to export surfaces into a file format suitable for import into 3D modellers (ie. Blender, 3DSMax, Lightwave, etc)? For that matter, is it possible at all to export anything in pymol? I realize that asking for support of a particular 3D file f

Re: [PyMOL] Help with labels?

2004-10-19 Thread Wulf Blankenfeldt
Hi labelers, I almost don't dare say this here, but for depth cued labels the best program/interface that I would know of is Lothar Esser's GL_RENDER. As far as I understand it is a graphical front end to bobscript/molscript that allows you to attach labels to atoms by clicking on them. The p