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| MMCifInfo () |
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void | AddCitation (MMCifInfoCitation citation) |
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void | AddAuthorsToCitation (StringRef id, std::vector< String > list, bool fault_tolerant=false) |
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const std::vector
< MMCifInfoCitation > & | GetCitations () const |
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void | SetMethod (String method) |
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const StringRef | GetMethod () const |
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void | SetResolution (Real res) |
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Real | GetResolution () const |
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void | SetEMResolution (Real res) |
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Real | GetEMResolution () const |
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void | SetRFree (Real r_free) |
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Real | GetRFree () const |
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void | SetRWork (Real r_work) |
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Real | GetRWork () const |
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void | AddMMCifPDBChainTr (String cif, String pdb) |
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String | GetMMCifPDBChainTr (String cif) const |
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void | AddPDBMMCifChainTr (String pdb, String cif) |
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String | GetPDBMMCifChainTr (String pdb) const |
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void | AddMMCifEntityIdTr (String cif, String ent_id) |
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String | GetMMCifEntityIdTr (String cif) const |
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void | AddBioUnit (MMCifInfoBioUnit bu) |
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const std::vector
< MMCifInfoBioUnit > & | GetBioUnits () const |
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void | AddOperation (MMCifInfoTransOpPtr op) |
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const std::vector
< MMCifInfoTransOpPtr > & | GetOperations () const |
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void | SetStructDetails (MMCifInfoStructDetails details) |
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const MMCifInfoStructDetails | GetStructDetails () const |
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void | SetObsoleteInfo (MMCifInfoObsolete obsolete) |
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MMCifInfoObsolete | GetObsoleteInfo () const |
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const MMCifInfoStructRefs & | GetStructRefs () const |
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void | SetStructRefs (const MMCifInfoStructRefs &sr) |
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void | SetRevisionsDateOriginal (String date) |
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void | AddRevision (int num, String date, String status, int major=-1, int minor=-1) |
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MMCifInfoRevisions | GetRevisions () const |
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void | AddEntityBranchLink (String chain_name, mol::AtomHandle atom1, mol::AtomHandle atom2, unsigned char bond_order) |
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const std::vector
< MMCifInfoEntityBranchLink > | GetEntityBranchLinks () const |
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const std::vector
< MMCifInfoEntityBranchLink > | GetEntityBranchByChain (const String &chain_name) const |
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const std::vector< String > | GetEntityBranchChainNames () const |
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const mol::ChainHandleList | GetEntityBranchChains () const |
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void | ConnectBranchLinks () |
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const MMCifEntityDesc & | GetEntityDesc (const String &entity_id) const |
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void | SetEntityDesc (const String &entity_id, const MMCifEntityDesc &entity_desc) |
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std::vector< String > | GetEntityIds () const |
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std::vector< String > | GetEntityIdsOfType (const String &type) const |
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| MMCifInfo () |
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void | AddCitation (MMCifInfoCitation citation) |
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void | AddAuthorsToCitation (StringRef id, std::vector< String > list, bool fault_tolerant=false) |
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const std::vector
< MMCifInfoCitation > & | GetCitations () const |
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void | SetMethod (String method) |
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const StringRef | GetMethod () const |
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void | SetResolution (Real res) |
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Real | GetResolution () const |
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void | SetEMResolution (Real res) |
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Real | GetEMResolution () const |
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void | SetRFree (Real r_free) |
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Real | GetRFree () const |
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void | SetRWork (Real r_work) |
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Real | GetRWork () const |
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void | AddMMCifPDBChainTr (String cif, String pdb) |
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String | GetMMCifPDBChainTr (String cif) const |
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void | AddPDBMMCifChainTr (String pdb, String cif) |
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String | GetPDBMMCifChainTr (String pdb) const |
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void | AddMMCifEntityIdTr (String cif, String ent_id) |
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String | GetMMCifEntityIdTr (String cif) const |
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void | AddBioUnit (MMCifInfoBioUnit bu) |
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const std::vector
< MMCifInfoBioUnit > & | GetBioUnits () const |
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void | AddOperation (MMCifInfoTransOpPtr op) |
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const std::vector
< MMCifInfoTransOpPtr > & | GetOperations () const |
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void | SetStructDetails (MMCifInfoStructDetails details) |
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const MMCifInfoStructDetails | GetStructDetails () const |
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void | SetObsoleteInfo (MMCifInfoObsolete obsolete) |
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MMCifInfoObsolete | GetObsoleteInfo () const |
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const MMCifInfoStructRefs & | GetStructRefs () const |
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void | SetStructRefs (const MMCifInfoStructRefs &sr) |
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void | SetRevisionsDateOriginal (String date) |
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void | AddRevision (int num, String date, String status, int major=-1, int minor=-1) |
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MMCifInfoRevisions | GetRevisions () const |
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void | AddEntityBranchLink (String chain_name, mol::AtomHandle atom1, mol::AtomHandle atom2, unsigned char bond_order) |
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const std::vector
< MMCifInfoEntityBranchLink > | GetEntityBranchLinks () const |
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const std::vector
< MMCifInfoEntityBranchLink > | GetEntityBranchByChain (const String &chain_name) const |
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const std::vector< String > | GetEntityBranchChainNames () const |
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const mol::ChainHandleList | GetEntityBranchChains () const |
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void | ConnectBranchLinks () |
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const MMCifEntityDesc & | GetEntityDesc (const String &entity_id) const |
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void | SetEntityDesc (const String &entity_id, const MMCifEntityDesc &entity_desc) |
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std::vector< String > | GetEntityIds () const |
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std::vector< String > | GetEntityIdsOfType (const String &type) const |
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container class for additional information from MMCif files
annotation information
MMCif files contain loads of additional information beside coordinates. This class is set up to capture some of it. In detail, we have:
- citations
- biounits
- transformation information from asym. unit to biounit
- structure information
- resolution
- method
Definition at line 991 of file mmcif_info.hh.