OEPositMethodΒΆ

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.