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IMP Reference Guide  develop.cd20b1e321,2019/12/14
The Integrative Modeling Platform
IMP.pmi1.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  FusionRestraint
 This class creates a restraint between the termini two polypeptides, to simulate the sequence connectivity. More...
 
class  HelixRestraint
 Enforce ideal Helix dihedrals and bonds for a selection at resolution 0. More...
 
class  PlaneDihedralRestraint
 Restrain the dihedral between planes defined by three particles. 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...