[buster-discuss] different residue alternate conformer

[Edwin Pozharski]

For some reason, I need to model a structure with alternate conformer in
certain position that represents different amino acids.  As I expected,
buster throws an error at pdbcheck step.  I can force the issue by
disabling various pdbchecks and gellychecks, but what happens is that the
second conformation gets renamed to match the amino acid name.

I could probably generate two chains of the same protein, assign 0.5
occupancy to each, perhaps constrain all other residues by strict NCS and
then upon refinement merge the chains back to generate proper file for
deposition.  But this hack isn't just ugly, it's grotesque.

Does anyone know of any more elegant way to do this that ?

Thanks,

Ed.
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