> changing CYS to
> CYX
That would depend on whether it's cross-linked to another CYX,
only pairs can be cross-linked, and probably most won't be linked.
This one could be automated by having leap identify the pairs of
CYS that are within bond distance, and ask the user whether they
want the bond or not. Alternatively, if the bond was in a CONECT
record in the pdb, it could be used to convert the CYS pair
automatically.
Bill
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Received on Mon Dec 19 2011 - 17:30:02 PST
