[PyMOL] Adding a viewport

2004-07-22 Thread Charles Moad
I am assuming a new viewport is added to the main window when the sequence viewer is displayed. This brings up the question, how possible would it be to create a plugin that creates yet another viewport in the main window? Where would I look in the code to do this, or would this require

[PyMOL] Cavity display?

2004-07-22 Thread Dirk Kostrewa
Dear PyMol users, I'm looking for a program that can calculate and write out cavities in a format that can be converted such that I can display it with PyMol (I'm not satisfied with the results from VOIDOO). Could you please send me any pointer to a program that you found useful? BTW, this

Re: [PyMOL] Cavity display?

2004-07-22 Thread Lari Lehtiƶ
I was looking for such a program couple of days ago, and I found pass. http://www.ccl.net/cca/software/UNIX/pass/overview.shtml I saw the cavities in couple of minutes in pymol :) I'm not familiar with voidoo, so I don't know if you will find this usefull or not... My current problem is related

Re: [PyMOL] Cavity display?

2004-07-22 Thread Gareth Stockwell
One program which can do this is SURFNET: http://www.biochem.ucl.ac.uk/~roman/surfnet/surfnet.html There are two ways in which cavities can be displayed: i) SURFNET can write out PDB format files containing the atoms/residues lining each cleft, which you can view directly ii) If linked with

RE: [PyMOL] Cavity display?

2004-07-22 Thread Cartailler, Jean-Philippe
Related the issue of inside-surface coloring, a useful feature to add to pymol would be the ability to flip surface normals for selected surfaces. Just a thought. JP Cartailler -Original Message- From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-

[PyMOL] auto_zoom follow-up

2004-07-22 Thread Al_Pierce
Okay, it seems that set auto_zoom, off does work for PDB files, but not for SDF files. I have a python script that gives these three commands: set auto_zoom, off load gsk_77553_l.sdf show sticks, gsk_77553_l But when you call the script, this is what happens in pymol PyMOLset auto_zoom, off