molpx.bmutilsΒΆ
This module contains methods that allow molpx.generate
to work
molpx.bmutils.get_good_starting_point (cl, ...) |
provided a pyemma-cl object and a list of geometries, return the index of |
This module contains methods that allow molpx.generate
to work
molpx.bmutils.get_good_starting_point (cl, ...) |
provided a pyemma-cl object and a list of geometries, return the index of |