[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 calc

[PyMOL] Re: Réf.: [PyMOL] Help! Color by atom/H-bond display/mouse on OSX

2002-08-01 Thread Joerg Johannes
Le Wed, 31 July 2002, Luca Jovine a écrit > BTW, do people on the PyMol bulletin > boar normally post (or are at least expected to post) summaries of the > answers they received to a particular problem? Depends. On a low-traffic list like this one, everybody can easily check all the answers i

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 allo

RE: [PyMOL] Polypeptide conformation restriction

2002-08-01 Thread Frank Vondelft
Hi Liang: The most up-to-date contour on the Ramachandran plot you can find at the molprobity website: http://kinemage.biochem.duke.edu/molprobity/ It's a bit indirect, you have to submit a structure and then it will give back a Ramachandran plot - but this plot agrees pretty well with what we t