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ReliaSolve / Molprobity2

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Oxygens in waters as acceptors #159

Closed russell-taylor closed 3 years ago

russell-taylor commented 3 years ago

Oxygens in waters are not marked as acceptors in CCTBX.

@todo: Mark them as acceptors by hand in fixup in the getExtraAtomInfo().

@todo: Once CCTBX fixes this, remove the fixup.

russell-taylor commented 3 years ago

False alarm; they are already marked as acceptors. There was a bug in another part of the code that was falsely attributed here.