schrodinger.application.desmond.packages.msys.groups module¶

schrodinger.application.desmond.packages.msys.groups.midpoint_violations(table, radius)[source]¶

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