OEProtFlex

This namespace contains constants describing partial flexibility of protein receptor which are included during bound ligand optimization.

NoFlex

No protein-flexibility.

PolarH

Polar hydrogens (for example hydroxyl hydrogens in serine) within specified distance from a ligand will be optimized.

SideChains

Residue side chains within specified distance from a bound ligand will be optimized.

Residues

Complete residues within specified distance from a bound ligand will be optimized.

ResidueList

Complete residues specified by the user will be optimized.

SideChainsList

Residue side chains specified by the user will be optimized.

PolarHResList

Polar hydrogens of residues specified by the user will be optimized.