ensembles

Description:

Code to exploit Modeller to regularize ENCoM generated conformational ensembles

usage:

usage: test_nrgten.py [-h] -f FILEIN [-w]

options:

short	long	default	help
-h	--help		show this help message and exit
-f FILEIN	--filein FILEIN		Input PDB structure filename
-w	--warnings		Do not silence code warnings

notes:

The PDB file is void of HETATM records.