OEPositMethodΒΆ

Constants in this namespace are used to indicate the available posing methods employed by OEPosit.

UNKNOWN

The ligand was not posed with OEPosit

SHAPEFIT

The molecule was posed using the shapefit method
PLP

HYBRID

The molecule was posed using the HYBRID method
OEDockMethod::Hybrid2

FRED

The molecule was posed using the default method See OEDockMethod::Chemgauss4

MCS

The molecule was docked using the MCS method

SHAPEFIT_EXHAUSTIVE

The molecule was docked using the exhaustive SHAPEFIT method This is the SHAPEFIT method but using the Subrocs initial alignment method.

The default method selection for OEPosit is:

ALL

This is equivalent to “SHAPEFIT | HYBRID | FRED | MCS”.