schrodinger.application.desmond.packages.msys.groups module¶
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schrodinger.application.desmond.packages.msys.groups.
midpoint_violations
(table, radius)¶
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schrodinger.application.desmond.packages.msys.groups.
clone_buffer_violations
(table, radius)¶ return atoms which violate Desmond’s clone buffer restriction at the given radius for terms in the given table.