antechamber.py File Reference

Go to the source code of this file.

Namespaces
	ost.mol.mm.antechamber

Functions
def	RunAntechamber (res_name, filename, format='ccif', amberhome=None, base_out_dir=None)
def	AddFromFiles (force_field, frcmod_filename, mpdb_filename)
def	AddFromPath (force_field, out_dir)
def	AddIon (force_field, res_name, atom_name, atom_mass, atom_charge, lj_sigma, lj_epsilon)