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Ab_TemplateInfo Specifically for AntibodyModeling protocol templates. |
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| Ab_TemplateInfoAP | |||
| Ab_TemplateInfoCAP | |||
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AntibodyEnumManager Interface to this class is in AntibodyInfo. |
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| AntibodyEnumManagerAP | |||
| AntibodyEnumManagerCAP | |||
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AntibodyFeatures Collects data on an antibody including CDRs, interfaces of L_H, L_A, H_A, and LH_A (this can be set), and other metrics. |
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| AntibodyFeaturesAP | |||
| AntibodyFeaturesCAP | |||
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AntibodyFeaturesCreator creator for the HBondParameterFeatures class |
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| AntibodyFeaturesCreatorAP | |||
| AntibodyFeaturesCreatorCAP | |||
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AntibodyInfo This class is used to get all relevant information you would need when dealing with an antibody. |
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| AntibodyInfoAP | |||
| AntibodyInfoCAP | |||
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AntibodyModelerProtocol protocols/antibody/AntibodyModelerProtocol.hh:37 |
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| AntibodyModelerProtocolAP | |||
| AntibodyModelerProtocolCAP | |||
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AntibodyNumbering protocols/antibody/AntibodyNumberingParser.hh:30 |
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| AntibodyNumberingAP | |||
| AntibodyNumberingCAP | |||
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AntibodyNumberingParser Class responsible for reading database Numbering Scheme definitions and their transforms from the database. |
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| AntibodyNumberingParserAP | |||
| AntibodyNumberingParserCAP | |||
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AntibodyNumberingSchemeEnum protocols/antibody/AntibodyEnum.hh:64 |
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AntibodyRegionEnum protocols/antibody/AntibodyEnum.hh:101 |
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CDRDefinitionEnum protocols/antibody/AntibodyEnum.hh:76 |
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CDRLandmarkEnum Main enumerator for AntibodyNumbering. |
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CDRNameEnum protocols/antibody/AntibodyEnum.hh:33 |
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CDRsMinPackMin protocols/antibody/CDRsMinPackMin.hh:41 |
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| CDRsMinPackMinAP | |||
| CDRsMinPackMinCAP | |||
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CloseOneCDRLoop Closes only one CDR onto a framework |
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| CloseOneCDRLoopAP | |||
| CloseOneCDRLoopCAP | |||
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FrameWork protocols/antibody/AntibodyInfo.hh:44 |
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| FrameWorkAP | |||
| FrameWorkCAP | |||
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GraftCDRLoopsProtocol protocols/antibody/GraftCDRLoopsProtocol.hh:38 |
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| GraftCDRLoopsProtocolAP | |||
| GraftCDRLoopsProtocolCAP | |||
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GraftOneCDRLoop Grafts only one CDR onto a framework |
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| GraftOneCDRLoopAP | |||
| GraftOneCDRLoopCAP | |||
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GraftedStemOptimizer Grafts only one CDR onto a framework |
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| GraftedStemOptimizerAP | |||
| GraftedStemOptimizerCAP | |||
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H3BaseTypeEnum protocols/antibody/AntibodyEnum.hh:116 |
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H3CterInsert /////////////////////////////////////////////////////////////////////// H3 CDR, Fragment Insertion and CCD |
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| H3CterInsertAP | |||
| H3CterInsertCAP | |||
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H3PerturbCCD protocols/antibody/H3PerturbCCD.hh:40 |
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| H3PerturbCCDAP | |||
| H3PerturbCCDCAP | |||
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H3RefineCCD protocols/antibody/H3RefineCCD.hh:45 |
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| H3RefineCCDAP | |||
| H3RefineCCDCAP | |||
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LHRepulsiveRamp protocols/antibody/LHRepulsiveRamp.hh:34 |
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| LHRepulsiveRampAP | |||
| LHRepulsiveRampCAP | |||
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LightChainTypeEnum protocols/antibody/AntibodyEnum.hh:89 |
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ModelCDRH3 /////////////////////////////////////////////////////////////////////// Ab initio modeling of CDR H3 loop |
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| ModelCDRH3AP | |||
| ModelCDRH3CAP | |||
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PDBLandmark Class that was once a struct; Used for matching pdb information between numbering schemes and cdr definitions. |
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| PDBLandmarkAP | |||
| PDBLandmarkCAP | |||
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PackingAngleEnum These are used to determine the VL_VH packing angle. |
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ParatopeMetric_T_double_T // paratope and pose measures ///// Convenience struct for passing around paratope data, including individual data for cdrs. |
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| ParatopeMetric_T_double_TAP | |||
| ParatopeMetric_T_double_TCAP | |||
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ParatopeMetric_T_long_int_T // paratope and pose measures ///// Convenience struct for passing around paratope data, including individual data for cdrs. |
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| ParatopeMetric_T_long_int_TAP | |||
| ParatopeMetric_T_long_int_TCAP | |||
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RefineBetaBarrel protocols/antibody/RefineBetaBarrel.hh:37 |
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| RefineBetaBarrelAP | |||
| RefineBetaBarrelCAP | |||
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RefineOneCDRLoop protocols/antibody/RefineOneCDRLoop.hh:35 |
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| RefineOneCDRLoopAP | |||
| RefineOneCDRLoopCAP | |||
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RefineOneCDRLoopCentroid protocols/antibody/RefineOneCDRLoopCentroid.hh:38 |
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| RefineOneCDRLoopCentroidAP | |||
| RefineOneCDRLoopCentroidCAP | |||
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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. |
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| SingletonBase_T_core_chemical_ChemicalManager_TAP | |||
| SingletonBase_T_core_chemical_ChemicalManager_TCAP | |||
| __CPP_AntibodyFeaturesCreator__ | |||
| __CPP_AntibodyFeatures__ | |||
| __CPP_AntibodyModelerProtocol__ | |||
| __CPP_CDRsMinPackMin__ | |||
| __CPP_CloseOneCDRLoop__ | |||
| __CPP_GraftCDRLoopsProtocol__ | |||
| __CPP_GraftOneCDRLoop__ | |||
| __CPP_GraftedStemOptimizer__ | |||
| __CPP_H3CterInsert__ | |||
| __CPP_H3PerturbCCD__ | |||
| __CPP_H3RefineCCD__ | |||
| __CPP_LHRepulsiveRamp__ | |||
| __CPP_ModelCDRH3__ | |||
| __CPP_RefineBetaBarrel__ | |||
| __CPP_RefineOneCDRLoopCentroid__ | |||
| __CPP_RefineOneCDRLoop__ | |||
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AHO_Scheme = rosetta.protocols.antibody._protocols_antibody_.A
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AntibodyNumberingSchemeEnum_start = rosetta.protocols.antibody
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AntibodyNumberingSchemeEnum_total = rosetta.protocols.antibody
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AntibodyRegionEnum_start = rosetta.protocols.antibody._protoco
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AntibodyRegionEnum_total = rosetta.protocols.antibody._protoco
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Aroop = rosetta.protocols.antibody._protocols_antibody_.CDRDef
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CDRDefinitionEnum_start = rosetta.protocols.antibody._protocol
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CDRDefinitionEnum_total = rosetta.protocols.antibody._protocol
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CDRLandmarkEnum_total = rosetta.protocols.antibody._protocols_
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CDRNameEnum_proto_start = rosetta.protocols.antibody._protocol
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CDRNameEnum_proto_total = rosetta.protocols.antibody._protocol
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CDRNameEnum_start = rosetta.protocols.antibody._protocols_anti
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CDRNameEnum_total = rosetta.protocols.antibody._protocols_anti
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Chothia = rosetta.protocols.antibody._protocols_antibody_.CDRD
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Chothia_Scheme = rosetta.protocols.antibody._protocols_antibod
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Enhanced_Chothia_Scheme = rosetta.protocols.antibody._protocol
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Extended = rosetta.protocols.antibody._protocols_antibody_.H3B
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H3BaseTypeEnum_start = rosetta.protocols.antibody._protocols_a
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H3BaseTypeEnum_total = rosetta.protocols.antibody._protocols_a
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H_chain_last_loop = rosetta.protocols.antibody._protocols_anti
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IMGT_Scheme = rosetta.protocols.antibody._protocols_antibody_.
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Kabat = rosetta.protocols.antibody._protocols_antibody_.CDRDef
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Kabat_Scheme = rosetta.protocols.antibody._protocols_antibody_
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Kinked = rosetta.protocols.antibody._protocols_antibody_.H3Bas
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L_chain_last_loop = rosetta.protocols.antibody._protocols_anti
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LightChainTypeEnum_start = rosetta.protocols.antibody._protoco
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LightChainTypeEnum_total = rosetta.protocols.antibody._protoco
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Martin = rosetta.protocols.antibody._protocols_antibody_.CDRDe
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NONE = rosetta.protocols.antibody._protocols_antibody_.Antibod
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Neutral = rosetta.protocols.antibody._protocols_antibody_.H3Ba
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North = rosetta.protocols.antibody._protocols_antibody_.CDRDef
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PackingAngleEnum_start = rosetta.protocols.antibody._protocols
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PackingAngleEnum_total = rosetta.protocols.antibody._protocols
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Unknown = rosetta.protocols.antibody._protocols_antibody_.H3Ba
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VH_sheet_1 = rosetta.protocols.antibody._protocols_antibody_.P
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VH_sheet_2 = rosetta.protocols.antibody._protocols_antibody_.P
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VL_sheet_1 = rosetta.protocols.antibody._protocols_antibody_.P
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VL_sheet_2 = rosetta.protocols.antibody._protocols_antibody_.P
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__package__ = None
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antigen_region = rosetta.protocols.antibody._protocols_antibod
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camelid_last_loop = rosetta.protocols.antibody._protocols_anti
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cdr_end = rosetta.protocols.antibody._protocols_antibody_.CDRL
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cdr_region = rosetta.protocols.antibody._protocols_antibody_.A
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cdr_start = rosetta.protocols.antibody._protocols_antibody_.CD
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framework_region = rosetta.protocols.antibody._protocols_antib
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h1 = rosetta.protocols.antibody._protocols_antibody_.CDRNameEn
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h2 = rosetta.protocols.antibody._protocols_antibody_.CDRNameEn
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h3 = rosetta.protocols.antibody._protocols_antibody_.CDRNameEn
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h4 = rosetta.protocols.antibody._protocols_antibody_.CDRNameEn
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kappa = rosetta.protocols.antibody._protocols_antibody_.LightC
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l1 = rosetta.protocols.antibody._protocols_antibody_.CDRNameEn
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l2 = rosetta.protocols.antibody._protocols_antibody_.CDRNameEn
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l3 = rosetta.protocols.antibody._protocols_antibody_.CDRNameEn
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l4 = rosetta.protocols.antibody._protocols_antibody_.CDRNameEn
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lambda = rosetta.protocols.antibody._protocols_antibody_.Light
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lambda6 = rosetta.protocols.antibody._protocols_antibody_.Ligh
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num_cdr_loops = rosetta.protocols.antibody._protocols_antibody
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proto_h4 = rosetta.protocols.antibody._protocols_antibody_.CDR
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proto_l4 = rosetta.protocols.antibody._protocols_antibody_.CDR
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start_cdr_loop = rosetta.protocols.antibody._protocols_antibod
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unknown = rosetta.protocols.antibody._protocols_antibody_.Ligh
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CDR_H3_cter_filter( (Pose)pose_in, (AntibodyInfo)ab_info) -> bool :
protocols/antibody/util.hh:148
C++ signature :
bool CDR_H3_cter_filter(core::pose::Pose,boost::shared_ptr<protocols::antibody::AntibodyInfo>)
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CDR_H3_filter_legacy_code_with_old_rule( (Pose)pose_in, (Loop)input_loop, (bool)is_camelid) -> bool :
protocols/antibody/util.hh:143
C++ signature :
bool CDR_H3_filter_legacy_code_with_old_rule(core::pose::Pose,protocols::loops::Loop {lvalue},bool)
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align_to_native( (Pose)pose, (Pose)native_pose, (AntibodyInfo)ab_info, (AntibodyInfo)native_ab_info [, (str)request_chain='LH']) -> None :
align current Fv to native.Fv
C++ signature :
void align_to_native(core::pose::Pose {lvalue},core::pose::Pose,boost::shared_ptr<protocols::antibody::AntibodyInfo>,boost::shared_ptr<protocols::antibody::AntibodyInfo> [,std::string='LH'])
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cdr_CN_anchor_distance( (Pose)pose, (AntibodyInfo)ab_info, (CDRNameEnum)cdr) -> float :
Calculate the distance between the carbon and nitrogen of each residue before and after the CDR respectively
C++ signature :
double cdr_CN_anchor_distance(core::pose::Pose,boost::shared_ptr<protocols::antibody::AntibodyInfo const>,protocols::antibody::CDRNameEnum)
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cdr_energy( (Pose)pose, (AntibodyInfo)ab_info, (__CPP_ScoreFunction__)scorefxn, (CDRNameEnum)cdr) -> float :
// CDR measures /////
Calculates energy of cdr by decomposing scorefxn into pair and then summing. This means it includes hbonding components, etc.
C++ signature :
double cdr_energy(core::pose::Pose,boost::shared_ptr<protocols::antibody::AntibodyInfo const>,boost::shared_ptr<core::scoring::ScoreFunction const>,protocols::antibody::CDRNameEnum)
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check_fix_aho_cdr_numbering( (AntibodyInfo)ab_info, (Pose)pose) -> None :
protocols/antibody/util.hh:95
C++ signature :
void check_fix_aho_cdr_numbering(boost::shared_ptr<protocols::antibody::AntibodyInfo const>,core::pose::Pose {lvalue})
check_fix_aho_cdr_numbering( (AntibodyInfo)ab_info, (CDRNameEnum)cdr, (Pose)pose) -> None :
/////////////////////////////// Numbering ///////////////////////////////////
Checks the length of the CDR, fixes AHO numbering for longer CDR loops that don't
fit within the numbering scheme
C++ signature :
void check_fix_aho_cdr_numbering(boost::shared_ptr<protocols::antibody::AntibodyInfo const>,protocols::antibody::CDRNameEnum,core::pose::Pose {lvalue})
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cutpoint_separation( (Pose)pose_in, (int)cutpoint) -> float :
Compute the separation at the cutpoint. The N-C distance of the
peptide bond which should be formed at the cutpoint. A closed loop is
assumed to have a gap < 1.9 Ang
C++ signature :
double cutpoint_separation(core::pose::Pose {lvalue},unsigned long)
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cutpoints_separation( (Pose)pose, (AntibodyInfo)antibody_info) -> bool :
return false if any cdr cutpoint is broken
C++ signature :
bool cutpoints_separation(core::pose::Pose {lvalue},boost::shared_ptr<protocols::antibody::AntibodyInfo> {lvalue})
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get_cdr_bool_from_tag( (Tag)tag, (str)name) -> vector1_bool :
Geta boolean vector of CDRs from a RosettaScripts tag.
C++ signature :
utility::vector1<bool, std::allocator<bool> > get_cdr_bool_from_tag(boost::shared_ptr<utility::tag::Tag const>,std::string)
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get_cdr_loops( (AntibodyInfo)ab_info, (Pose)pose, (vector1_bool)cdrs [, (int)stem_size=0]) -> Loops :
Get a set of loops for a boolean vector of CDRNameEnums including any stem residues.
C++ signature :
boost::shared_ptr<protocols::loops::Loops> get_cdr_loops(boost::shared_ptr<protocols::antibody::AntibodyInfo const>,core::pose::Pose,utility::vector1<bool, std::allocator<bool> > [,unsigned long=0])
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global_loop_rmsd( (Pose)pose_in, (Pose)native_pose, (Loops)current_loop) -> float :
/////////////////////////////////////// things to compare to native //////////////////////////////////////////
C++ signature :
double global_loop_rmsd(core::pose::Pose,core::pose::Pose,boost::shared_ptr<protocols::loops::Loops>)
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is_H3_rama_kinked( (str)rama) -> bool :
Very basic kink function based on rama groups. Kink is defined as having AB + DB at the C-terminal stem.
This is in the North/Dunbrack CDR definition.
Avoid this definition if you can and talk to brain. This is currently used for a quick filtering for design.
C++ signature :
bool is_H3_rama_kinked(std::string)
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kink_RD_Hbond( (Pose)pose, (AntibodyInfo)abinfo) -> float :
// kink measures /////
C++ signature :
double kink_RD_Hbond(core::pose::Pose,protocols::antibody::AntibodyInfo)
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kink_Trp_Hbond( (Pose)pose, (AntibodyInfo)abinfo) -> float :
protocols/antibody/metrics.hh:52
C++ signature :
double kink_Trp_Hbond(core::pose::Pose,protocols::antibody::AntibodyInfo)
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kink_bb_Hbond( (Pose)pose, (AntibodyInfo)abinfo) -> float :
protocols/antibody/metrics.hh:47
C++ signature :
double kink_bb_Hbond(core::pose::Pose,protocols::antibody::AntibodyInfo)
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kink_dihedral( (Pose)pose, (AntibodyInfo)abinfo [, (bool)debug=False]) -> pair_Real_Real :
protocols/antibody/metrics.hh:56
C++ signature :
std::pair<double, double> kink_dihedral(core::pose::Pose,protocols::antibody::AntibodyInfo [,bool=False])
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paratope_charge( (Pose)pose, (AntibodyInfo)abinfo) -> ParatopeMetric_T_long_int_T :
calculate the net charge of the paratope
C++ signature :
protocols::antibody::ParatopeMetric<long> paratope_charge(core::pose::Pose,protocols::antibody::AntibodyInfo)
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paratope_sasa( (Pose)pose, (AntibodyInfo)ab_info) -> object :
calculate the SASA of the antibody paratope. Returns all and hydrophobic components.
C++ signature :
std::pair<protocols::antibody::ParatopeMetric<double>, protocols::antibody::ParatopeMetric<double> > paratope_sasa(core::pose::Pose,protocols::antibody::AntibodyInfo)
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pose_charge( (Pose)pose) -> int :
calculate the net charge of the antibody
C++ signature :
long pose_charge(core::pose::Pose)
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select_epitope_residues( (AntibodyInfo)ab_info, (Pose)pose [, (int)interface_distance=10.0]) -> vector1_bool :
//////////////////////////////// Epitope + Paratope ////////////////////////////////////////////////////////////////////
Get the epitope residues using the InterGroupNeighborsCalculator.
C++ signature :
utility::vector1<bool, std::allocator<bool> > select_epitope_residues(boost::shared_ptr<protocols::antibody::AntibodyInfo const>,core::pose::Pose [,unsigned long=10.0])
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setup_A_LH_foldtree( (AntibodyInfo)ab_info, (Pose)pose) -> str :
Setup A_LH foldtree via docking. Return dock_chains string.
C++ signature :
std::string setup_A_LH_foldtree(boost::shared_ptr<protocols::antibody::AntibodyInfo const>,core::pose::Pose {lvalue})
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setup_LH_A_foldtree( (AntibodyInfo)ab_info, (Pose)pose) -> str :
Setup LH_A foldtree via docking. Return dock_chains string.
C++ signature :
std::string setup_LH_A_foldtree(boost::shared_ptr<protocols::antibody::AntibodyInfo const>,core::pose::Pose {lvalue})
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setup_packer_task( (Pose)pose_in) -> TaskFactory :
Very specific packertask,
Ubound rotamer options, repack only, protein only, no disulfides.
C++ signature :
boost::shared_ptr<core::pack::task::TaskFactory> setup_packer_task(core::pose::Pose {lvalue})
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simple_fold_tree( (Pose)pose_in, (int)jumppoint1, (int)cutpoint, (int)jumppoint2) -> None :
protocols/antibody/util.hh:114
C++ signature :
void simple_fold_tree(core::pose::Pose {lvalue},unsigned long,unsigned long,unsigned long)
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simple_one_loop_fold_tree( (Pose)pose, (Loop)loop) -> None :
////////////////////////////// Etc. /////////////////////////////////////
C++ signature :
void simple_one_loop_fold_tree(core::pose::Pose {lvalue},protocols::loops::Loop)
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vl_vh_orientation_coords( (Pose)pose_in, (AntibodyInfo)ab_info) -> vector1_Real :
calculate the VH_VL packing angle from 2 sheet definitions on each antibody chain
vector is made up of:
vl_vh_distance
opening_angle
opposite_angle
packing_angle
C++ signature :
utility::vector1<double, std::allocator<double> > vl_vh_orientation_coords(core::pose::Pose,protocols::antibody::AntibodyInfo)
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AHO_Scheme
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AntibodyNumberingSchemeEnum_start
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AntibodyNumberingSchemeEnum_total
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AntibodyRegionEnum_start
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AntibodyRegionEnum_total
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Aroop
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CDRDefinitionEnum_start
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CDRDefinitionEnum_total
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CDRLandmarkEnum_total
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CDRNameEnum_proto_start
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CDRNameEnum_proto_total
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CDRNameEnum_start
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CDRNameEnum_total
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Chothia
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Chothia_Scheme
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Enhanced_Chothia_Scheme
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Extended
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H3BaseTypeEnum_start
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H3BaseTypeEnum_total
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H_chain_last_loop
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IMGT_Scheme
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Kabat
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Kabat_Scheme
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Kinked
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L_chain_last_loop
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LightChainTypeEnum_start
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LightChainTypeEnum_total
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Martin
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NONE
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Neutral
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North
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PackingAngleEnum_start
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PackingAngleEnum_total
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Unknown
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VH_sheet_1
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VH_sheet_2
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VL_sheet_1
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VL_sheet_2
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antigen_region
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camelid_last_loop
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cdr_end
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cdr_region
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cdr_start
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framework_region
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h1
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h2
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h3
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h4
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kappa
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l1
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l2
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l3
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l4
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lambda
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lambda6
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num_cdr_loops
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proto_h4
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proto_l4
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start_cdr_loop
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unknown
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| Generated by Epydoc 3.0.1 on Sat Jun 6 00:10:53 2015 | http://epydoc.sourceforge.net |