[PyMOL] CE Align v0.2 Request for Help (need Windows package).

2007-01-25 Thread Jason Vertrees
PyMOLers, I updated CE Align to fix a slight annoyance. Before, I would translate both molecules to the center and align them. Now, I just move one molecule on top of the other. This allows one to do a poor-man's multiple alignment. For example: cealign 1A15, 1DON cealign 1A15, 1EOT

Re: [PyMOL] CE-align

2007-01-18 Thread Esben Jannik Bjerrum
Hi Pymol Users I wanted to try the new CEalign command and got the following error: run qkabsch.py Traceback (most recent call last): File /usr/lib/python2.4/site-packages/pymol/parser.py, line 285, in parse parsing.run_file(exp_path(args[nest][0]),pymol_names,pymol_names) File

[PyMOL] CE Align Wiki

2007-01-16 Thread Jason Vertrees
PyMolers, CE Align v0.1: Thanks to the help of some testers, I can now release the first version of CE Align -- a structure alignment plugin for PyMol. You can download it from the PyMolWiki (http://www.pymolwiki.org/index.php/Cealign) in BZ2 or ZIP format. Documentation and examples are

Re: [PyMOL] CE Align Wiki

2007-01-16 Thread DeLano Scientific
...@lists.sourceforge.net [mailto:pymol-users-boun...@lists.sourceforge.net] On Behalf Of Jason Vertrees Sent: Tuesday, January 16, 2007 8:23 PM To: pymol-users@lists.sourceforge.net Subject: [PyMOL] CE Align Wiki PyMolers, CE Align v0.1: Thanks to the help of some testers, I can now release

[PyMOL] CE Align v0,1

2007-01-11 Thread Jason Vertrees
Howdy, I've just finished implementing the CE alignment algorithm in Python/C as a PyMol plugin. The CE algorithm, is a fast/accurate structure-based alignment program. (At this point, I have left out a few optimization steps; those will come later.) Before I release the code to the public,