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ReliaSolve / Molprobity2

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Check and see if the planar or tetrahedral angle for OH have preferences #101

Closed russell-taylor closed 3 years ago

russell-taylor commented 3 years ago

Hydrogenate was placing things not at one of two correct orientations, then reduce would have to rotate it. Preferred orientations when no change in probe scores.

russell-taylor commented 3 years ago

There is not currently a preference, but there is an unused compiler flag that would enable one.