Hi Andreas,

I would like to introduce point mutations in a structure and quickly
(and dirtily) minimize the new residue. (Best rotamer dependent on local
environment, or the like.) What are simple approaches that don't involve
VMD/NAMD or some such overkill.

PyMOL has a "Mutagenesis" wizard but you have to pick the best rotamer yourself.

Cheers,
  Thomas

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Thomas Holder
MPI for Developmental Biology
Spemannstr. 35
D-72076 Tübingen

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