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| XCSEditor () |
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| ~XCSEditor () |
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| XCSEditor (const XCSEditor &rhs) |
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XCSEditor & | operator= (const XCSEditor &rhs) |
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void | SetAtomOriginalPos (const AtomHandle &atom, const geom::Vec3 &position) |
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void | SetAtomOriginalPos (const AtomHandleList &alist, float *positions) |
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void | SetAtomOriginalPos (const AtomHandleList &alist, double *positions) |
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void | SetAtomTransformedPos (const AtomHandle &atom, const geom::Vec3 &position) |
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void | SetAtomTransformedPos (const AtomHandleList &alist, float *positions) |
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void | SetAtomTransformedPos (const AtomHandleList &alist, double *positions) |
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void | SetAtomPos (const AtomHandle &atom, const geom::Vec3 &position) |
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void | SetAtomPos (const AtomHandleList &alist, float *positions) |
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void | SetAtomPos (const AtomHandleList &alist, double *positions) |
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void | ApplyTransform (const geom::Mat4 &transform) |
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void | ApplyTransform (const geom::Transform &transform) |
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void | SetTransform (const geom::Mat4 &transform) |
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void | SetTransform (const geom::Transform &transform) |
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void | FixTransform () |
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void | UpdateICS () |
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void | ForceUpdate () |
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ChainHandle | InsertChain (const String &chain_name) |
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ChainHandle | InsertChain (const String &chain_name, ChainHandle chain, bool deep=false) |
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BondHandle | Connect (const AtomHandle &first, const AtomHandle &second) |
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BondHandle | Connect (const AtomHandle &first, const AtomHandle &second, unsigned char bond_order) |
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BondHandle | Connect (const AtomHandle &first, const AtomHandle &second, Real len, Real theta, Real phi) |
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BondHandle | Connect (const AtomHandle &first, const AtomHandle &second, Real len, Real theta, Real phi, unsigned char bond_order) |
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void | RenameResidue (ResidueHandle res, const String &new_name) |
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void | SetResidueNumber (ResidueHandle res, const ResNum &num) |
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void | RenameChain (ChainHandle chain, const String &new_name) |
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void | SetChainType (ChainHandle chain, const ChainType type) |
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void | SetChainDescription (ChainHandle chain, const String desc) |
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void | DeleteAllAtoms (ResidueHandle res) |
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void | DeleteAtom (const AtomHandle &atom) |
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void | DeleteAtoms (const AtomHandleList &atoms) |
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void | DeleteBond (const BondHandle &bond) |
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void | DeleteBonds (const BondHandleList &bonds) |
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TorsionHandle | AddTorsion (const String &name, const AtomHandle &a1, const AtomHandle &a2, const AtomHandle &a3, const AtomHandle &a4) |
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void | DeleteChain (const ChainHandle &chain) |
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void | DeleteResidue (const ResidueHandle &residue_handle) |
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void | ReorderResidues (const ChainHandle &chain) |
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void | ReorderAllResidues () |
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void | RenumberAllResidues (int start, bool keep_spacing) |
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void | RenumberChain (ChainHandle chain, const ResNumList &new_numbers) |
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void | RenumberChain (const ChainHandle &chain, int start, bool keep_spacing) |
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EditMode | GetMode () const |
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EntityHandle | GetEntity () const |
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void | RenameAtom (AtomHandle atom, const String &new_name) |
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void | Prune () |
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ResidueHandle | AppendResidue (ChainHandle chain, const ResidueKey &k) |
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ResidueHandle | AppendResidue (ChainHandle chain, const ResidueKey &k, const ResNum &num) |
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ResidueHandle | AppendResidue (ChainHandle chain, ResidueHandle residue, bool deep=false) |
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ResidueHandle | InsertResidueBefore (ChainHandle chain, int index, const ResNum &num, const ResidueKey &k) |
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ResidueHandle | InsertResidueAfter (ChainHandle chain, int index, const ResNum &num, const ResidueKey &k) |
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AtomHandle | InsertAtom (ResidueHandle residue, const String &name, const geom::Vec3 &pos, const String &ele="", Real occupancy=1.0, Real b_factor=0.0, bool is_hetatm=false) |
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AtomHandle | InsertAtom (ResidueHandle residue, AtomHandle atom) |
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AtomHandle | InsertAltAtom (ResidueHandle residue, const String &name, const String &alt_group, const geom::Vec3 &pos, const String &ele="", Real occ=1.0, Real b_factor=0.0) |
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AtomHandle | InsertAltAtom (ResidueHandle residue, AtomHandle atom, const String &alt_group) |
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void | AddAltAtomPos (const String &group, const AtomHandle &atom, const geom::Vec3 &position, Real occ=1.0, Real b_factor=0.0) |
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external coordinate system editor
For an introduction to editors go here.
Definition at line 36 of file xcs_editor.hh.