OEPositMethod¶
Constants in this namespace are used to indicate the
available posing methods used by SetPositMethods
and GetPositMethods
.
ALL
This is equivalent to “SHAPEFIT | HYBRID | FRED | MCS”. This is the default.
FRED
The molecule was posed using the default method. See
OEDockMethod.Chemgauss4
.
HYBRID
The molecule was posed using the HYBRID method. See
OEDockMethod.Hybrid2
.
MCS
The molecule was docked using the MCS method.
SHAPEFIT
The molecule was posed using the shapefit method. See PLP.
SHAPEFIT_EXHAUSTIVE
The molecule was docked using the exhaustive SHAPEFIT method. This is the SHAPEFIT method but using the Subrocs initial alignment method.
UNKNOWN
The ligand was not posed.