, including all inherited members.
| addHydrogens(mmdb::PResidue R, mmdb::io::PFile structFile) | ccp4srs::Chem | |
| addHydrogens(mmdb::PChain chain, mmdb::io::PFile structFile) | ccp4srs::Chem | |
| addHydrogens(mmdb::PModel model, mmdb::io::PFile structFile) | ccp4srs::Chem | |
| addHydrogens(mmdb::PManager MMDB, mmdb::io::PFile structFile) | ccp4srs::Chem | |
| Base() | ccp4srs::Base | |
| CalcHBonds(mmdb::PPResidue Res1, int nres1, mmdb::PPResidue Res2, int nres2, RPAtomPair HBond, int &nHBonds, RPAtomPair SBridge, int &nSBridges, mmdb::io::PFile structFile=NULL, mmdb::pstr altLoc=NULL, bool ignoreNegSigOcc=false) | ccp4srs::Chem | |
| Chem() | ccp4srs::Chem | |
| freeMemory() | ccp4srs::Base | [protected] |
| getAtNames(int entryNo, mmdb::PAtomName AtName, int &nAtoms, int &nH) | ccp4srs::Base | |
| getAtNames(mmdb::io::PFile structFile, int entryNo, mmdb::PAtomName AtName, int &nAtoms, int &nH) | ccp4srs::Base | |
| getAtoms(mmdb::cpstr entryID, int &nNonHAtoms, mmdb::PAtomName NonHAtName, int &nHAtoms, mmdb::PAtomName HAtName, mmdb::ivector Hconnect, mmdb::ivector Elem, mmdb::ivector Chiral) | ccp4srs::Base | |
| getBonds(mmdb::cpstr entryID, mmdb::ivector nBonds, mmdb::imatrix bondPair, int &nAtoms, int maxNAtoms, int maxNBonds) | ccp4srs::Base | |
| getEnergyTypes(mmdb::PResidue R, mmdb::io::PFile structFile) | ccp4srs::Chem | |
| getEnergyTypes(mmdb::PPResidue R, int nRes, mmdb::io::PFile structFile) | ccp4srs::Chem | |
| getEnergyTypes(mmdb::PChain chain, mmdb::io::PFile structFile) | ccp4srs::Chem | |
| getEnergyTypes(mmdb::PModel model, mmdb::io::PFile structFile) | ccp4srs::Chem | |
| getEnergyTypes(mmdb::PManager MMDB, mmdb::io::PFile structFile) | ccp4srs::Chem | |
| getEntryNo(mmdb::cpstr entryID) | ccp4srs::Base | |
| getGraph(mmdb::io::PFile graphFile, mmdb::math::RPGraph G) | ccp4srs::Base | |
| getGraph(mmdb::io::PFile graphFile, int entryNo, mmdb::math::RPGraph G, int Hflag) | ccp4srs::Base | |
| getGraph(mmdb::io::PFile graphFile, mmdb::math::RPGraph G, int Hflag) | ccp4srs::Base | |
| getGraph(int entryNo, mmdb::math::RPGraph G, int Hflag) | ccp4srs::Base | |
| getGraph(mmdb::cpstr entryID, mmdb::math::RPGraph G, int Hflag) | ccp4srs::Base | |
| getGraphFile() | ccp4srs::Base | |
| getHetInfo(mmdb::cpstr entryID, mmdb::pstr Formula, mmdb::pstr Hname, mmdb::pstr Hsynonym, mmdb::pstr Hcharge, mmdb::PAtomName &ClinkAtom, mmdb::PElement &ClinkEle, mmdb::PAtomName &SlinkAtom, mmdb::PElement &SlinkEle, int &nLeavingAtoms) | ccp4srs::Base | |
| getIndex(mmdb::cpstr entryID) | ccp4srs::Base | |
| getIndex(int n) | ccp4srs::Base | |
| getMonomer(mmdb::cpstr entryID) | ccp4srs::Base | |
| getMonomer(int entryNo, mmdb::io::PFile structFile) | ccp4srs::Base | |
| getMonomer(mmdb::cpstr entryID, mmdb::io::PFile structFile) | ccp4srs::Base | |
| getNofAtoms(mmdb::cpstr entryID) | ccp4srs::Base | |
| getNofAtoms(int entryNo) | ccp4srs::Base | |
| getNofAtoms(int entryNo, int &nNonHAtoms, int &nHAtoms) | ccp4srs::Base | |
| getPath(mmdb::pstr &S, mmdb::cpstr FName) | ccp4srs::Base | |
| getStructFile() | ccp4srs::Base | |
| index | ccp4srs::Base | [protected] |
| init_base() | ccp4srs::Base | [protected] |
| init_chem() | ccp4srs::Chem | [protected] |
| loadIndex(mmdb::cpstr srsPath) | ccp4srs::Base | |
| loadStructure(mmdb::cpstr entryID) | ccp4srs::Base | |
| makeBonds(mmdb::PResidue R, mmdb::pstr altLoc, mmdb::io::PFile structFile, PDASelHnds selHandles, bool ignoreNegSigOcc) | ccp4srs::Chem | |
| Manager() | ccp4srs::Manager | |
| maxDAAcos | ccp4srs::Chem | [protected] |
| maxDAdist | ccp4srs::Chem | [protected] |
| maxDDAcos | ccp4srs::Chem | [protected] |
| maxDHAcos | ccp4srs::Chem | [protected] |
| maxHAAcos | ccp4srs::Chem | [protected] |
| maxHAdist2 | ccp4srs::Chem | [protected] |
| maxSBdist | ccp4srs::Chem | [protected] |
| memIO | ccp4srs::Base | [protected] |
| minDAdist | ccp4srs::Chem | [protected] |
| n_entries() | ccp4srs::Base | [inline] |
| nEntries | ccp4srs::Base | [protected] |
| srsDir | ccp4srs::Base | [protected] |
| srsVersion | ccp4srs::Base | [protected] |
| unloadStructure(mmdb::cpstr entryID) | ccp4srs::Base | |
| ~Base() | ccp4srs::Base | |
| ~Chem() | ccp4srs::Chem | |
| ~Manager() | ccp4srs::Manager | |
1.7.2
