Re: [PyMOL] Rigimol/ipymol

2009-07-02 Thread Jesper Lykkegaard Karlsen
Hi Joel, The trick is to have all the atoms through out the morph in every single pdb. Thus, pdb1 needs to have ligands from pdb2 and pdb3 and so forth. Move the non-bound ligands out of the binding site for every pdb. If you run Rigimol now you will see the ligands, in turn, bind to the bindi

[PyMOL] PyMOLWiki RSS & Useful Performance Setting

2009-07-02 Thread Jason Vertrees
PyMOLers, (1) If you follow the PyMOLWiki closely enough, then you might be interested in knowing that you can follow all changes to the wiki via RSS. From the following link choose "RSS" or "atom" in the lower left-hand side: http://pymolwiki.org/index.php/Special:RecentChanges (2)

[PyMOL] DCD Trajectories and Movie Panel

2009-07-02 Thread Sean Law
Hi all, I am playing around with the new PyMOL 1.2 release and was hoping to use the Movie Panel in conjunction with a loaded DCD trajectory file. However, after loading the MD trajectory and setting "movie_panel" to 1 I don't see the prescribed time line below the viewing area. Of course, i

Re: [PyMOL] DCD Trajectories and Movie Panel

2009-07-02 Thread Warren DeLano
Sean, The movie panel operates on movie frames, not trajectory states, so you need to create a relationship between them. A one-to-one relationship can be created using the Python command: cmd.mset("1 -%d" % cmd.count_states()) Or alternatively, you can use the new Movie -> Program -> State L