IMP.pmi1.restraints.stereochemistry.CharmmForceFieldRestraint Class Reference

Enable CHARMM force field. More...

Inherits object.

Detailed Description

Enable CHARMM force field.

Note

This class is only available in Python.

Definition at line 929 of file /restraints/stereochemistry.py.

Public Member Functions
def	__init__
	Setup the CHARMM restraint on a selection. More...

Constructor & Destructor Documentation

def IMP.pmi1.restraints.stereochemistry.CharmmForceFieldRestraint.__init__	(		self,
			root = None,
			ff_temp = 300.0,
			zone_ps = None,
			zone_size = 10.0,
			enable_nonbonded = True,
			enable_bonded = True,
			zone_nonbonded = False,
			representation = None
	)

Setup the CHARMM restraint on a selection.

Expecting atoms.

Parameters

root	The node at which to apply the restraint
ff_temp	The temperature of the force field
zone_ps	Create a zone around this set of particles Automatically includes the entire residue (incl. backbone)
zone_size	The size for looking for neighbor residues
enable_nonbonded	Allow the repulsive restraint
enable_bonded	Allow the bonded restraint
zone_nonbonded	EXPERIMENTAL: exclude from nonbonded all sidechains that aren't in zone!
representation	Legacy representation object

Definition at line 940 of file /restraints/stereochemistry.py.

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The documentation for this class was generated from the following file:

• /restraints/stereochemistry.py