[PyMOL] Apply a transformation matrix to a selection

2008-01-31 Thread Toni PizĂ 
Hi people! I'm trying to apply a transformation matrix to a few atoms in a representation. By now I'm using a python script that modify the position vector directly in the pdb, and then load the new pdb, but I think that should exist some other way to apply the matrix direct with the pymol.

[PyMOL] .pse file and new pdb

2008-01-31 Thread David Garboczi
Suppose one is mouse-oriented and script-averse. He makes a nice figure with a not-fully-refined model and saves the .pse file. Later, refinement is done and he has a new pdb file. He would like to have that same figure that is encoded in the .pse file, but using the final pdb file, without

Re: [PyMOL] .pse file and new pdb

2008-01-31 Thread DeLano Scientific
David, So long as the PDB files match, you should be able to: load new_pdb.pdb, new_object update old_object, new_object delete new_object Cheers, Warren -- DeLano Scientific LLC Subscriber Support Services mailto:del...@delsci.info -Original Message- From:

Re: [PyMOL] .pse file and new pdb

2008-01-31 Thread David Garboczi
By match do you mean, that the new pdb has no more or no less atoms, all with the same names so that only the coords and Bs have changed? Dave At 3:09 PM -0800 1/31/08, DeLano Scientific wrote: David, So long as the PDB files match, you should be able to: load new_pdb.pdb, new_object