schrodinger.application.desmond.constants module

schrodinger.application.desmond.constants.ExistingRestraint

alias of HandleExisting

class schrodinger.application.desmond.constants.FepTypes(PRM_STABILITY, PROTEIN_SELECTIVITY, COVALENT_LIGAND, SMALL_MOLECULE, METALLOPROTEIN, LIGAND_SELECTIVITY)

Bases: tuple

COVALENT_LIGAND

Alias for field number 2

LIGAND_SELECTIVITY

Alias for field number 5

METALLOPROTEIN

Alias for field number 4

PRM_STABILITY

Alias for field number 0

PROTEIN_SELECTIVITY

Alias for field number 1

SMALL_MOLECULE

Alias for field number 3

class schrodinger.application.desmond.constants.RestProperties(SOLVENT_HOTREGION, COMPLEX_HOTREGION)

Bases: tuple

COMPLEX_HOTREGION

Alias for field number 1

SOLVENT_HOTREGION

Alias for field number 0