schrodinger.application.jaguar.rmsd module¶
This module is a subclass of schrodinger.structutils.rmsd to provide ability to do searching over more permutations of possible renumbering.
-
class
schrodinger.application.jaguar.rmsd.
ConformerRmsdX
(reference_structure, *args, **kwargs)¶ Bases:
schrodinger.structutils.rmsd.ConformerRmsd
-
renumberBySymmetry
()¶ Disables renumbering using symmetry, if we are brute forcing the solution.
-
renumberWorkingStructures
(has_hydrogens)¶ Renumber the working structures to give them identical numbering. If search_permutations is set, a custom renumbering method is used.
-