Module zmat

Z-matrix classes and functions.

Classes

Zmat
class to store a single Zmat and related objects

ZmatBondAtomtypes
Class to store explicitly written stretch parameters

ZmatNonBond
Class to store explicitly written non-bond parameters

ZmatAddAng
Class to store additional angles

ZmatAddBnd
Class to store additional bonds

ZmatAddDih
Class to store additional dihedrals

ZmatDomDef
Class to store domain definitions

ZmatVarDih
Class to store variable dihedrals

ZmatHarCons
Class to store harmonic constraints

ZmatGeoVar
class to store geometry variations

ZmatAtom
class to store an atom of a zmat

proteinHandler
Class provides methods to write the pepz input file

Functions

removeOrientDummyAtoms(ct)
Method to identify and remove fep dummy atoms indicated by b_mcp_orient_dummy atom property added by mcpro_zmat

Variables

__doc__ = ...

__package__ = 'schrodinger.application.mcpro'

Variables Details

Value:

"""
Z-matrix classes and functions.

Copyright Schrodinger, LLC. All rights reserved.

"""