[PyMOL] MMTK 2.5.1 with PyMOL support

2004-09-24 Thread hinsen
A new development release of MMTK is available for download. See http://dirac.cnrs-orleans.fr/MMTK/download.html for details. The major new experimental feature is the PyMOL interface module. If Python scripts using MMTK are run from inside PyMOL, then all visualization routines will a

RE: [PyMOL] saving transformed PDB files

2004-09-24 Thread Warren DeLano
Steve, Yes, in fact that's currently the only way it can save them. Just use the save command. You also might think about selections and loops: cnt=22 for a in range(1,cnt+1): \ cmd.load("FINALCNS_%d"%a,"MOL%d"%a) select region, (102-106,112-116,122-135,137-139,141-145,148-149,156-160,166

[PyMOL] saving transformed PDB files

2004-09-24 Thread steve Alam
Dear Pymolers, I've been using pymol to superimpose NMR ensembles. The Align FXN works great and would look something like: load /Users/alam/Documents/nzfcomplex/cnspdbs/FINALCNS_1.pdb, MOL1 load /Users/alam/Documents/nzfcomplex/cnspdbs/FINALCNS_2.pdb, MOL2 load /Users/alam/Documents/nzfcom

RE: [PyMOL] modeling in pymol

2004-09-24 Thread Warren DeLano
Frank, Yes, PyMOL has molecular editing functions, but it doesn't yet have a clean-up ability. To rotate bonds, put the mouse into Editing Node and then control-right-click-and-drag on the end of the bond you wish to move. To delete bonds, control right-click and release on the bond, then type C

RE: [PyMOL] Free text labels

2004-09-24 Thread Warren DeLano
Uwe, Yes: label 23/ca, "This is the CA of residue 23" Right now, the only way to modify the distance at present is to insert spaces in the label: label 23/ca, " This is the CA of residue 23" Cheers, Warren -- mailto:war...@delsci.com Warren L. DeLano, Ph.D. Principal Scientist DeLano