I made Molecular Dynamics studies on a wildtype enzyme and its mutants. =
To compare the structures (in pymol 40 states for each enzyme) I have to =
find out which state of the one enzyme has the best rms to the other =
enzyme. Are there possibilities to solve this problem in pymol or maybe =
in python? I have not much experience writing python scripts for pymol. =
The best solution is a list which shows the best rms and the states, or =
a list of all compared states with their rms values so I can simply see =
which one will be a good pair.
My second question is: How to measure distances over all states and send =
them to an output - file?
Get latest updates about Open Source Projects, Conferences and News.