ccp4srs
Version 1.0.0
|
This is the complete list of members for ccp4srs::Manager, 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 |