schrodinger.application.desmond.gaussian_filter module

Create and filter 3D histogram with gaussian function.

Copyright Schrodinger, LLC. All rights reserved.

class schrodinger.application.desmond.gaussian_filter.GaussianFilter(s=0.5, sp=3)

Bases: object

__init__(s=0.5, sp=3)

apply(atom_array, weights=None, max=None, min=None)

write(cns_fname, remark='')