OEConfSlicer¶
class OEConfSlicer
This class defines an interface for reducing the number of conformers
in a molecule by detecting duplicates. This allows for
OEOmega
to generate a very large ensemble with
much looser deduplication parameters, and then to “slice” that
ensemble of conformations by various different parameters after the
fact.
See also
OESliceEnsembleOptions
classOESliceEnsemble
method
- The
OEConfSlicer
class defines the following public methods:
Constructors¶
OEConfSlicer()
OEConfSlicer(const OESliceEnsembleOptions&)
OEConfSlicer(const OEConfSlicer&)
Default and copy constructors.