Package rosetta :: Package protocols :: Package antibody :: Package constraints :: Module _protocols_antibody_constraints_
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Module _protocols_antibody_constraints_

Classes [hide private]
  CDRDihedralConstraintMover
Add Cluster or General Dihedral CircularHarmonic constraints to a CDR.
  CDRDihedralConstraintMoverAP
  CDRDihedralConstraintMoverCAP
  CDRDihedralConstraintMoverCreator
protocols/antibody/constraints/CDRDihedralConstraintMoverCreator.hh:25
  CDRDihedralConstraintMoverCreatorAP
  CDRDihedralConstraintMoverCreatorCAP
  ParatopeEpitopeSiteConstraintMover
Add SiteConstraints from the Epitope to the Paratope and from the Paratope to the Epitope.
  ParatopeEpitopeSiteConstraintMoverAP
  ParatopeEpitopeSiteConstraintMoverCAP
  ParatopeEpitopeSiteConstraintMoverCreator
protocols/antibody/constraints/ParatopeEpitopeSiteConstraintMoverCreator.hh:24
  ParatopeEpitopeSiteConstraintMoverCreatorAP
  ParatopeEpitopeSiteConstraintMoverCreatorCAP
  ParatopeSiteConstraintMover
Adds and removes ambiguous site constraints for the Antibody Paratope to antigen, defined for simplicity as the CDRs, however a set of paratope residues can be given to the class to use instead.
  ParatopeSiteConstraintMoverAP
  ParatopeSiteConstraintMoverCAP
  ParatopeSiteConstraintMoverCreator
protocols/antibody/constraints/ParatopeSiteConstraintMoverCreator.hh:24
  ParatopeSiteConstraintMoverCreatorAP
  ParatopeSiteConstraintMoverCreatorCAP
  SingletonBase_T_core_chemical_ChemicalManager_T
SingletonBase is meant to serve as a base class for singleton classes in Rosetta handling the initialization of the singleton in a thread-safe way.
  SingletonBase_T_core_chemical_ChemicalManager_TAP
  SingletonBase_T_core_chemical_ChemicalManager_TCAP
  __CPP_CDRDihedralConstraintMoverCreator__
  __CPP_CDRDihedralConstraintMover__
  __CPP_ParatopeEpitopeSiteConstraintMoverCreator__
  __CPP_ParatopeEpitopeSiteConstraintMover__
  __CPP_ParatopeSiteConstraintMoverCreator__
  __CPP_ParatopeSiteConstraintMover__
Functions [hide private]
 
add_harmonic_dihedral_cst_general(...)
add_harmonic_dihedral_cst_general( (AntibodyInfo)ab_info, (Pose)pose, (CDRNameEnum)cdr [, (float)phi_sd_deg=16.0 [, (float)psi_sd_deg=16.0]]) -> None : Add dihedral constraints to CDR with mean being the current phi/psi.
 
cdr_has_res_constraints(...)
cdr_has_res_constraints( (AntibodyInfo)ab_info, (Pose)pose, (CDRNameEnum)cdr, (str)constraint_type) -> bool : Check if all residues already have a specific constraint type.
Variables [hide private]
  __package__ = None
Function Details [hide private]

add_harmonic_dihedral_cst_general(...)

 

add_harmonic_dihedral_cst_general( (AntibodyInfo)ab_info, (Pose)pose, (CDRNameEnum)cdr [, (float)phi_sd_deg=16.0 [, (float)psi_sd_deg=16.0]]) -> None :
    Add dihedral constraints to CDR with mean being the current phi/psi.
    Values for avg SD for each cluster not including H3 were 16 and 16 degrees respectively.  Using cluster outliers, values were at 21 and 23 degrees respectively.
                       Mean SD for both dihedrals was 16 and 22 for without/with outliers.
                       Use this especially if doing cartesian-space minimization
    
    

    C++ signature :
        void add_harmonic_dihedral_cst_general(boost::shared_ptr<protocols::antibody::AntibodyInfo const>,core::pose::Pose {lvalue},protocols::antibody::CDRNameEnum [,double=16.0 [,double=16.0]])

cdr_has_res_constraints(...)

 

cdr_has_res_constraints( (AntibodyInfo)ab_info, (Pose)pose, (CDRNameEnum)cdr, (str)constraint_type) -> bool :
    Check if all residues already have a specific constraint type.  Useful for coordinate and dihedral constraints.
    

    C++ signature :
        bool cdr_has_res_constraints(boost::shared_ptr<protocols::antibody::AntibodyInfo const>,core::pose::Pose {lvalue},protocols::antibody::CDRNameEnum,std::string)