Re: [PyMOL] Dss when creating movie from dcd traj

2023-11-09 Thread Norbert Straeter
Hi Effie, try to load the trajectory with the option discrete=1: load trajectory.dcd, discrete=1 Best, Norbert Am 09.11.2023 um 19:38 schrieb Effie Artikis: Hello, I’ve uploaded my MD simulation and am trying to create a movie but I’ve noticed that when I play the MD simulation, the

[PyMOL] Dss when creating movie from dcd traj

2023-11-09 Thread Effie Artikis
Hello, I’ve uploaded my MD simulation and am trying to create a movie but I’ve noticed that when I play the MD simulation, the secondary structure isn’t updated frame by frame. For example, although it is an unfolding simulation the protein maintains the secondary structure of the initial frame

[PyMOL] dss

2010-09-10 Thread Bradley Hintze
Is there a way i can call dss from a script? e.g. cmd.dss. -- Bradley J. Hintze Graduate Student Duke University School of Medicine 801-712-8799 -- Start uncovering the many advantages of virtual appliances and start

Re: [PyMOL] DSS

2010-07-23 Thread Bradley Hintze
I'm writing a manuscript and just need clarification. Does cmd.iterate('all and n. ca', 'stored.stored_ss.append([ss])') use pymol's DSS to assign secondary structure? If not, how is this command assigning secondary structure? Thanks, Bradley On Tue, Jun 22, 2010 at 7:37 PM, Jason Vertrees

[PyMOL] DSS

2010-06-22 Thread Bradley Hintze
Hi all, Is there a way to get an output from PyMol's DSS command (like a dssp output)? -- Bradley J. Hintze Graduate Student Duke University School of Medicine 801-712-8799 -- ThinkGeek and WIRED's GeekDad team up for

Re: [PyMOL] DSS

2010-06-22 Thread Jason Vertrees
Hi Bradley, PyMOL uses its own internal routine for secondary structure classification. The iterator token is ss. Check out http://pymolwiki.org/index.php/Ss and http://pymolwiki.org/index.php/Iterate_sses and http://pymolwiki.org/index.php/WriteSS. Cheers, -- Jason On Tue, Jun 22, 2010 at

RE: [PyMOL] dss ribbon representation

2003-11-14 Thread Warren L. DeLano
...@biochem.utah.edu; Andreas Foerster Cc: pymol Subject: Re: [PyMOL] dss ribbon representation Andreas Foerster andr...@biochem.utah.edu: - The dss algorithm is great, a very quick way to assign secondary structure. Is there a way of conserving the information when saving the pdb

[PyMOL] dss ribbon representation

2003-11-13 Thread Andreas Förster
Hi pymol community. Two questions. - The dss algorithm is great, a very quick way to assign secondary structure. Is there a way of conserving the information when saving the pdb? Sometimes it's nice to edit the assignment. - In contrast to versions 0.9 and earlier, version 0.93 connects the CA