[Chimera-users] Automatic mutations
jmsstarlight at gmail.com
Sun Nov 10 11:29:38 PST 2013
Dear Chimera users!
I'm looking for the possible python script which using the Chimera's source
would introduce selected mutations in the defined PDB file and produce PDB
output containing such protein with the selected substitution residues. It
would be also good if rotamers for mutation residues would be backbone
dependent or taken from the existing rotamer libraries (although its not
essence because I can run minimization on the mutants)
Previously I've done such tasks with selectivity mutations via Chimera-GUI
rotamer plugin but now I'd like to obtain big series of the mutant of
studied protein for further examinations of such mutants by means of
molecular dynamics simulation.
Could someone provide me with such script if it could not be very
complicated to make it?
Thanks for help,
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