group_restraints() -- create a new set of group restraints

env = <environ>		MODELLER environment
classes = <str:1>		file of atom classes
parameters = <str:1>		file of group restraint parameters

Description:

This creates a new set of group restraints. The set is initialized by reading in classes, a file containing a classification of residue:atom pairs into groups. If the parameters argument is also given, this is used to read in a file of restraint parameters, using group_restraints.append().

Example: examples/commands/read_atom_classes.py

# Example for: group_restraints()

# This will read an atom classification for non-bonded statistical potentials
# of mean force.

env = environ()
gprsr = group_restraints(env, classes='$(LIB)/atmcls-melo.lib',
                         parameters='$(LIB)/melo1-dist.lib')