pafonine at lbl.gov
Wed Mar 30 01:30:28 PDT 2016
> How to add an unnatural amino acid (say OCS) at a position in the
> sequence and view it in PyMol, provided the protein structure (PDB
> file) is given? Is it correct to make changes in the PDB file itself,
> if Yes, then how should I do it?
at the risk of setting a bad example... If I had to do it myself I would
edit PDB file manually to mutate existing residue into OCS, then I would
run a quick geometry minimization to fix up geometry (that is likely to
be distorted due to manual editing). If OCS is this
then everything may just work fine. Otherwise you may want to provide a
CIF file for it.
I wonder if this kind of manipulation can be done in Coot?
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