IMP.pmi.restraints.stereochemistry Namespace Reference

Restraints for keeping correct stereochemistry. More...

Detailed Description

Restraints for keeping correct stereochemistry.

Classes
class	CharmmForceFieldRestraint
	Enable CHARMM force field. More...
class	ConnectivityRestraint
	This class creates a restraint between consecutive TempResidue objects OR an entire PMI MOlecule object. More...
class	ElasticNetworkRestraint
	Add harmonic restraints between all pairs. More...
class	ExcludedVolumeSphere
	A class to create an excluded volume restraint for a set of particles at a given resolution. More...
class	PseudoAtomicRestraint
	Add bonds and improper dihedral restraints for the CBs. More...
class	ResidueAngleRestraint
	Add angular restraint between triplets of consecutive residues/beads to enforce the stereochemistry. More...
class	ResidueBondRestraint
	Add bond restraint between pair of consecutive residues/beads to enforce the stereochemistry. More...
class	ResidueDihedralRestraint
	Add dihedral restraints between quadruplet of consecutive residues/beads to enforce the stereochemistry. More...
class	SecondaryStructure
	Experimental, requires isd_emxl for now. More...
class	SymmetryRestraint
	Create harmonic restraints between the reference and (transformed) clones. More...