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