schrodinger.application.desmond.constants module

class schrodinger.application.desmond.constants.Constants

Bases: object

class schrodinger.application.desmond.constants.FEP_TYPES

Bases: schrodinger.application.desmond.constants.Constants

PRM_STABILITY = 'prm_stability'

PROTEIN_SELECTIVITY = 'protein_selectivity'

COVALENT_LIGAND = 'covalent_ligand'

SMALL_MOLECULE = 'small_molecule'

METALLOPROTEIN = 'metalloprotein'

LIGAND_SELECTIVITY = 'ligand_selectivity'

class schrodinger.application.desmond.constants.EXISTING_RESTRAINT

Bases: schrodinger.application.desmond.constants.Constants

RETAIN = 'retain'

IGNORE = 'ignore'

class schrodinger.application.desmond.constants.REST_PROPERTIES

Bases: schrodinger.application.desmond.constants.Constants

SOLVENT_HOTREGION = 'i_rest_solvent_hotregion'

COMPLEX_HOTREGION = 'i_rest_complex_hotregion'

schrodinger.application.desmond.constants.opls_forcefield_names()