antechamber.py File Reference

Go to the source code of this file.

Namespaces
namespace	ost
namespace	ost::mol
namespace	ost::mol::mm
namespace	ost.mol.mm.antechamber

Functions
	_GetInteraction (functype, atoms, params)
	_MakeComponentBuildingBlock (eh, ff_dict)
	_ParseModifiedPDB (filename)
	_ParseAmberForceField (filename)
	RunAntechamber (res_name, filename, format='ccif', amberhome=None, base_out_dir=None)
	AddFromFiles (force_field, frcmod_filename, mpdb_filename)
	AddFromPath (force_field, out_dir)
	AddIon (force_field, res_name, atom_name, atom_mass, atom_charge, lj_sigma, lj_epsilon)