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.