ACDLabs | ccp4srs::Monomer | protected |
add(PAtom atom) | ccp4srs::Monomer | inline |
add(PBond bond) | ccp4srs::Monomer | inline |
add(PAngle angle) | ccp4srs::Monomer | inline |
add(PPlane plane) | ccp4srs::Monomer | inline |
add(PTree stree) | ccp4srs::Monomer | inline |
add(PTorsion torsion) | ccp4srs::Monomer | inline |
add(PChiCenter chicenter) | ccp4srs::Monomer | inline |
addHydrogens(mmdb::PResidue R) | ccp4srs::Monomer | |
angle(int n) | ccp4srs::Monomer | inline |
angles | ccp4srs::Monomer | protected |
atom(int n) | ccp4srs::Monomer | inline |
atom_no(mmdb::cpstr aname) | ccp4srs::Monomer | |
atoms | ccp4srs::Monomer | protected |
bond(int n) | ccp4srs::Monomer | inline |
bonds | ccp4srs::Monomer | protected |
CACTVS | ccp4srs::Monomer | protected |
check_ccp4_coordinates() | ccp4srs::Monomer | |
chem_formula() | ccp4srs::Monomer | |
chem_name() | ccp4srs::Monomer | |
chem_type() | ccp4srs::Monomer | |
chicenter(int n) | ccp4srs::Monomer | inline |
chicenters | ccp4srs::Monomer | protected |
Entry() | ccp4srs::Entry | |
get_angles() | ccp4srs::Monomer | inline |
get_atoms() | ccp4srs::Monomer | inline |
get_bonds() | ccp4srs::Monomer | inline |
get_bound(int atomNo, mmdb::cpstr elem, int serNo) | ccp4srs::Monomer | |
get_bound(int atomNo, int n) | ccp4srs::Monomer | |
get_bound(mmdb::cpstr aname, int n) | ccp4srs::Monomer | |
get_chicenters() | ccp4srs::Monomer | inline |
get_planes() | ccp4srs::Monomer | inline |
get_torsions() | ccp4srs::Monomer | inline |
get_tree() | ccp4srs::Monomer | inline |
getACDLabs() | ccp4srs::Monomer | inline |
getAtomNameMatch(mmdb::PPAtom A, int nat, mmdb::pstr altLoc, mmdb::ivector anmatch) | ccp4srs::Monomer | |
getAtomNameMatch(Container< Atom > *A, mmdb::ivector anmatch) | ccp4srs::Monomer | |
getCACTVS() | ccp4srs::Monomer | inline |
getGraph(int *retCode) | ccp4srs::Monomer | |
getInChI() | ccp4srs::Monomer | inline |
getLeavingAtoms(int &nLeavingAtoms, mmdb::ivector &leavingAtom, mmdb::ivector &bondedAtom) | ccp4srs::Monomer | |
getOpenEye() | ccp4srs::Monomer | inline |
ID() | ccp4srs::Monomer | inline |
InChI | ccp4srs::Monomer | protected |
Init() | ccp4srs::Monomer | protected |
Link enum value | ccp4srs::Entry | |
makeCIF() | ccp4srs::Monomer | |
merge(PMonomer monomer) | ccp4srs::Monomer | |
monFormula | ccp4srs::Monomer | protected |
monID | ccp4srs::Monomer | protected |
monName | ccp4srs::Monomer | protected |
Monomer() | ccp4srs::Monomer | |
ccp4srs::Entry::Monomer enum value | ccp4srs::Entry | |
monType | ccp4srs::Monomer | protected |
n_angles() | ccp4srs::Monomer | inline |
n_atoms() | ccp4srs::Monomer | inline |
n_bonds() | ccp4srs::Monomer | inline |
n_chicenters() | ccp4srs::Monomer | inline |
n_planes() | ccp4srs::Monomer | inline |
n_torsions() | ccp4srs::Monomer | inline |
None enum value | ccp4srs::Entry | |
oldID() | ccp4srs::Monomer | inline |
oldMonID | ccp4srs::Monomer | protected |
OpenEye | ccp4srs::Monomer | protected |
plane(int n) | ccp4srs::Monomer | inline |
planes | ccp4srs::Monomer | protected |
read(mmdb::io::RFile f, int version, PMemIO memIO=NULL) | ccp4srs::Entry | |
read_mem(PMemIO memIO, int version, bool *Ok=NULL) | ccp4srs::Monomer | protectedvirtual |
readFromCIF(mmdb::mmcif::PData mmCIFData, mmdb::pstr error_desc=NULL) | ccp4srs::Monomer | |
readFromCIF_ccp4(mmdb::mmcif::PData mmCIFData, mmdb::pstr error_desc) | ccp4srs::Monomer | protected |
readFromCIF_rcsb(mmdb::mmcif::PData mmCIFData, mmdb::pstr error_desc) | ccp4srs::Monomer | protected |
readMonIDFromCIF(mmdb::mmcif::PLoop loop) | ccp4srs::Monomer | protected |
readMonIDFromCIF(mmdb::mmcif::PStruct mmCIFStruct) | ccp4srs::Monomer | protected |
reset() | ccp4srs::Monomer | |
setOldID(mmdb::cpstr oldID) | ccp4srs::Monomer | |
struct_tree | ccp4srs::Monomer | protected |
torsion(int n) | ccp4srs::Monomer | inline |
torsions | ccp4srs::Monomer | protected |
tree() | ccp4srs::Monomer | inline |
type() | ccp4srs::Monomer | inlinevirtual |
write(mmdb::io::RFile f, int version, PMemIO memIO=NULL) | ccp4srs::Entry | |
write_mem(PMemIO memIO, int version) | ccp4srs::Monomer | protectedvirtual |
~Entry() | ccp4srs::Entry | virtual |
~Monomer() | ccp4srs::Monomer | |