 |
RxDock 0.1.0
A fast, versatile, and open-source program for docking ligands to proteins and nucleic acids
|
Loading...
Searching...
No Matches
|
RxDock 0.1.0
A fast, versatile, and open-source program for docking ligands to proteins and nucleic acids
|
This is the complete list of members for rxdock::Model, including all inherited members.
| AddPseudoAtom(const AtomList &atomList) (defined in rxdock::Model) | rxdock::Model | |
| AlignPrincipalAxes(const PrincipalAxes &alignAxes=PrincipalAxes(), bool bAlignCOM=true) (defined in rxdock::Model) | rxdock::Model | |
| ClearAllDataFields(const std::string &strDataFieldPrefix) (defined in rxdock::Model) | rxdock::Model | |
| ClearAllDataFields() (defined in rxdock::Model) | rxdock::Model | |
| ClearDataField(const std::string &strDataField) (defined in rxdock::Model) | rxdock::Model | |
| ClearPseudoAtoms() (defined in rxdock::Model) | rxdock::Model | |
| from_json (defined in rxdock::Model) | rxdock::Model | friend |
| GetAtomList() const (defined in rxdock::Model) | rxdock::Model | inline |
| GetAtomListWithAtomicNo(int nAtomicNo) (defined in rxdock::Model) | rxdock::Model | |
| GetAtomListWithFFType(std::string strFFType) (defined in rxdock::Model) | rxdock::Model | |
| GetAtomTypeMap() (defined in rxdock::Model) | rxdock::Model | |
| GetBondList() const (defined in rxdock::Model) | rxdock::Model | inline |
| GetBondList(const Predicate &pred) (defined in rxdock::Model) | rxdock::Model | |
| GetBondTypeMap() (defined in rxdock::Model) | rxdock::Model | |
| GetCenterOfMass() const (defined in rxdock::Model) | rxdock::Model | |
| GetChargedAtomList() (defined in rxdock::Model) | rxdock::Model | |
| GetChrom() const (defined in rxdock::Model) | rxdock::Model | |
| GetCurrentCoords() const (defined in rxdock::Model) | rxdock::Model | inline |
| GetCyclicAtomList() (defined in rxdock::Model) | rxdock::Model | |
| GetCyclicBondList() (defined in rxdock::Model) | rxdock::Model | |
| GetDataFieldList() const (defined in rxdock::Model) | rxdock::Model | |
| GetDataMap() const (defined in rxdock::Model) | rxdock::Model | inline |
| GetDataValue(const std::string &strDataField) const (defined in rxdock::Model) | rxdock::Model | |
| GetEnabled() const (defined in rxdock::Model) | rxdock::Model | inline |
| GetFlexBonds() const (defined in rxdock::Model) | rxdock::Model | |
| GetFlexData() const (defined in rxdock::Model) | rxdock::Model | |
| GetFlexIntns(Atom *pAtom) const (defined in rxdock::Model) | rxdock::Model | |
| GetHBondAcceptorAtomList() (defined in rxdock::Model) | rxdock::Model | |
| GetHBondDonorAtomList() (defined in rxdock::Model) | rxdock::Model | |
| GetMinMaxCoords(Coord &minCoord, Coord &maxCoord, bool bInit=true) (defined in rxdock::Model) | rxdock::Model | |
| GetName() const (defined in rxdock::Model) | rxdock::Model | inline |
| GetNumAtoms() const (defined in rxdock::Model) | rxdock::Model | inline |
| GetNumAtomsWithAtomicNo(int nAtomicNo) (defined in rxdock::Model) | rxdock::Model | |
| GetNumAtomsWithFFType(std::string strFFType) (defined in rxdock::Model) | rxdock::Model | |
| GetNumBonds() const (defined in rxdock::Model) | rxdock::Model | inline |
| GetNumBonds(const Predicate &pred) (defined in rxdock::Model) | rxdock::Model | |
| GetNumChargedAtoms() (defined in rxdock::Model) | rxdock::Model | |
| GetNumCyclicAtoms() (defined in rxdock::Model) | rxdock::Model | |
| GetNumCyclicBonds() (defined in rxdock::Model) | rxdock::Model | |
| GetNumData() const (defined in rxdock::Model) | rxdock::Model | inline |
| GetNumHBondAcceptorAtoms() (defined in rxdock::Model) | rxdock::Model | |
| GetNumHBondDonorAtoms() (defined in rxdock::Model) | rxdock::Model | |
| GetNumPlanarAtoms() (defined in rxdock::Model) | rxdock::Model | |
| GetNumPseudoAtoms() const (defined in rxdock::Model) | rxdock::Model | |
| GetNumRings() const (defined in rxdock::Model) | rxdock::Model | inline |
| GetNumSavedCoords() const (defined in rxdock::Model) | rxdock::Model | inline |
| GetNumSegments() const (defined in rxdock::Model) | rxdock::Model | inline |
| GetNumSelectedAtoms() (defined in rxdock::Model) | rxdock::Model | |
| GetNumSelectedBonds() (defined in rxdock::Model) | rxdock::Model | |
| GetNumTetheredAtoms() const (defined in rxdock::Model) | rxdock::Model | |
| GetNumTitles() const (defined in rxdock::Model) | rxdock::Model | inline |
| GetOccupancy() const (defined in rxdock::Model) | rxdock::Model | inline |
| GetPlanarAtomList() (defined in rxdock::Model) | rxdock::Model | |
| GetPrincipalAxes() const (defined in rxdock::Model) | rxdock::Model | |
| GetPseudoAtomList() const (defined in rxdock::Model) | rxdock::Model | |
| GetRingAtomLists() const (defined in rxdock::Model) | rxdock::Model | inline |
| GetSavedCoordNames() const (defined in rxdock::Model) | rxdock::Model | inline |
| GetSegmentMap() const (defined in rxdock::Model) | rxdock::Model | inline |
| GetSelectedAtomList() (defined in rxdock::Model) | rxdock::Model | |
| GetSelectedBondList() (defined in rxdock::Model) | rxdock::Model | |
| GetTetheredAtomList() const (defined in rxdock::Model) | rxdock::Model | |
| GetTitleList() const (defined in rxdock::Model) | rxdock::Model | inline |
| GetTotalMass() const (defined in rxdock::Model) | rxdock::Model | |
| isDataFieldPresent(const std::string &strDataField) const (defined in rxdock::Model) | rxdock::Model | |
| isFlexible() const (defined in rxdock::Model) | rxdock::Model | |
| Model(BaseMolecularFileSource *pMolSource) (defined in rxdock::Model) | rxdock::Model | |
| Model(AtomList &atomList, BondList &bondList) (defined in rxdock::Model) | rxdock::Model | |
| Model(json j) (defined in rxdock::Model) | rxdock::Model | |
| ModelMutator (defined in rxdock::Model) | rxdock::Model | friend |
| RevertCoords(const std::string &coordName="") (defined in rxdock::Model) | rxdock::Model | |
| RevertCoords(int) (defined in rxdock::Model) | rxdock::Model | |
| Rotate(const Vector &axis, double thetaDeg) (defined in rxdock::Model) | rxdock::Model | |
| Rotate(const Vector &axis, double thetaDeg, const Coord ¢er) (defined in rxdock::Model) | rxdock::Model | |
| RotateBond(BondPtr spBond, double thetaDeg) (defined in rxdock::Model) | rxdock::Model | |
| RotateBond(BondPtr spBond, double thetaDeg, AtomPtr spFixedAtom) (defined in rxdock::Model) | rxdock::Model | |
| RotateBond(BondPtr spBond, double thetaDeg, bool bSwap) (defined in rxdock::Model) | rxdock::Model | |
| SaveCoords(const std::string &coordName="") (defined in rxdock::Model) | rxdock::Model | |
| SelectFlexAtoms() (defined in rxdock::Model) | rxdock::Model | |
| SelectFlexAtoms(Atom *pAtom) (defined in rxdock::Model) | rxdock::Model | |
| SetAtomCyclicFlags(bool bCyclic=true) (defined in rxdock::Model) | rxdock::Model | |
| SetAtomSelectionFlags(bool bSelected=true) (defined in rxdock::Model) | rxdock::Model | |
| SetAtomUser1Flags(bool bUser1=true) (defined in rxdock::Model) | rxdock::Model | |
| SetAtomUser1Values(double dUser1=0.0) (defined in rxdock::Model) | rxdock::Model | |
| SetAtomUser2Values(double dUser2=0.0) (defined in rxdock::Model) | rxdock::Model | |
| SetBondCyclicFlags(bool bCyclic=true) (defined in rxdock::Model) | rxdock::Model | |
| SetBondSelectionFlags(bool bSelected=true) (defined in rxdock::Model) | rxdock::Model | |
| SetCenterOfMass(const Coord &c) (defined in rxdock::Model) | rxdock::Model | inline |
| SetDataValue(const std::string &strDataField, const Variant &dataValue) (defined in rxdock::Model) | rxdock::Model | |
| SetFlexData(FlexData *pFlexData) (defined in rxdock::Model) | rxdock::Model | |
| SetOccupancy(double occupancy, double threshold=0.5) (defined in rxdock::Model) | rxdock::Model | |
| SetTitle(std::size_t index, const std::string &strTitle) (defined in rxdock::Model) | rxdock::Model | inline |
| to_json (defined in rxdock::Model) | rxdock::Model | friend |
| Translate(const Vector &vector) (defined in rxdock::Model) | rxdock::Model | |
| UpdateCoords(BaseMolecularFileSource *pMolSource) (defined in rxdock::Model) | rxdock::Model | |
| UpdatePseudoAtoms() (defined in rxdock::Model) | rxdock::Model | |
| ~Model() (defined in rxdock::Model) | rxdock::Model | virtual |
1.9.7