[PyMOL] Polypeptide conformation restriction

2002-08-01 Thread kkliang
Dear pymolers, Many of you are interested in SS. I think you must be experts on this. So, although this is not a pymol problem, I hope that you can give me some information. I've got some MD simulation results, and I calculated the phi-psi angles of each amino acid. (Yeah I know that phi-psi

Re: [PyMOL] Polypeptide conformation restriction

2002-08-01 Thread Jason Maynes
Hello: To show the allowed torsion angles, run your protein through procheck (available at http://www.ccp4.ac.uk/main.html), this will show the allowed areas. I would say that the convergence of an MD simlulation cannot be told by torsion angles since the protein conformation with the most

RE: [PyMOL] Polypeptide conformation restriction

2002-08-01 Thread Frank Vondelft
tend to see in Xray structures. Better than the procheck (etc.) plots. Good luck phx. -Original Message- From: kkli...@gate.sinica.edu.tw [mailto:kkli...@gate.sinica.edu.tw] Sent: Thursday, August 01, 2002 12:06 AM To: pymol-users@lists.sourceforge.net Subject: [PyMOL] Polypeptide