proteindf_tools.poputils module¶

class proteindf_tools.poputils.PopEspUtils[source]¶

Bases: PopUtils

Population Utilities for ESP

get_RRMS(mpac_path, atoms)[source]¶

class proteindf_tools.poputils.PopUtils[source]¶

Bases: object

Population Utilities

static get_atomlist_by_param(param_path)[source]¶

static set_atomlist(atom_charges, atomlist)[source]¶: substitute atom_charges for atomlist