Re: [PyMOL] Delete all but one object

2015-05-08 Thread Bernhard Lechtenberg
Thanks for the quick reply. That works like a charm. On May 8, 2015, at 12:37 PM, Thomas Holder wrote: > Hi Bernhard, > > "delete" strictly operates on object names, not on atom selections. This > difference is unfortunately a common point of confusion. > > Here's a delete command which ope

[PyMOL] Someone interested in writing a DSSR plugin for PyMOL?

2015-05-08 Thread Thomas Holder
Hi all, Is anyone interested in writing a DSSR plugin for PyMOL? DSSR is an integrated software tool for Dissecting the Spatial Structure of RNA (http://x3dna.bio.columbia.edu/docs/dssr-manual.pdf). Among other things, DSSR defines the secondary structure of RNA from 3D atomic coordinates in a

Re: [PyMOL] Delete all but one object

2015-05-08 Thread Thomas Holder
Hi Bernhard, "delete" strictly operates on object names, not on atom selections. This difference is unfortunately a common point of confusion. Here's a delete command which operates on a selection and therefore supports the "not" operator: python @cmd.extend def delete_by_sele(selection):

[PyMOL] Delete all but one object

2015-05-08 Thread Bernhard Lechtenberg
Hi all, after an extensive pymol session, I ended up with a lot of intermediate objects that I now want to delete so I will only keep my final object. Is there an easy way to remove all but one object? I tried the delete command, but something like delete (not obj_final) did not work as expecte

Re: [PyMOL] RMS over a MD trajectory.

2015-05-08 Thread Schubert, Carsten [JRDUS]
Hi Al, based on my experience running align or super with "cycles=0" has the tendency to produce inferior alignment results. So depending on how similar the conformation of your structures are you may end up with skewed statistics. What I've done in the past and for a paper I'm working on now i

Re: [PyMOL] RMS over a MD trajectory.

2015-05-08 Thread Albert Solernou
Thanks Thomas, I was already printing k[i][3] (RMSD before refinement) instead of k[i][0] (RMSD after refinement) but your "cycles=0" looks cleaner. Cheers, Albert On 05/06/2015 05:14 PM, Thomas Holder wrote: > Hi Albert, > > Please pay attention to the difference between all-atom RMSD and RMSD