Hi Robert, this solves exactly my problem and gives me the pictures I wanted.
Thank you very much for the quick answer! Cheers, Alexander Am Mittwoch, den 26.10.2011, 09:48 -0400 schrieb Robert Campbell: > Hi Alexander, > > On Wed, 2011-10-26 12:53 EDT, Alexander Schulz > <sch...@dwi.rwth-aachen.de> wrote: > > > Hi Thomas, > > > > thank you very much for the answer, I'm beginning to understand the > > actual problem now. > > > > dss state=1 > > helps, but it changes the problem: I would like to see the secondary > > structure that corresponds to the single snapshot. When I use dss > > state=1, I just see the secondary structure of the first snapshot in all > > snapshots. > > > > Is there a way to calculate the secondary structure for each individual > > snapshot stored in this single .pdb file? > > Yes, simply load the pdb file with the "discrete=1" flag: > > load md_file.pdb, discrete=1 > dss md_file > > Setting the "discrete" flag causes PyMOL to store more information > (B-factors, secondary structure) with each atom of each state -- so it can > also be noticeably slower to load and uses more memory. > > Cheers, > Rob > ------------------------------------------------------------------------------ The demand for IT networking professionals continues to grow, and the demand for specialized networking skills is growing even more rapidly. Take a complimentary Learning@Cisco Self-Assessment and learn about Cisco certifications, training, and career opportunities. http://p.sf.net/sfu/cisco-dev2dev _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
