PLMD::PDB Member List

This is the complete list of members for PLMD::PDB, including all inherited members.

addBlockEnd(const unsigned &end)PLMD::PDB
addRemark(std::vector< std::string > &v1)PLMD::PDB
arg_dataPLMD::PDBprivate
argnamesPLMD::PDBprivate
atomsymbPLMD::PDBprivate
betaPLMD::PDBprivate
block_endsPLMD::PDBprivate
BoxPLMD::PDBprivate
BoxABGPLMD::PDBprivate
BoxXYZPLMD::PDBprivate
chainPLMD::PDBprivate
checkForAtom(const std::string &name) constPLMD::PDB
checkForAtom(AtomNumber a) constPLMD::PDB
checkForResidue(const std::string &name) constPLMD::PDB
flagsPLMD::PDBprivate
getArgumentNames() constPLMD::PDB
getArgumentValue(const std::string &name, double &value) constPLMD::PDB
getAtomBlockEnds() constPLMD::PDB
getAtomName(AtomNumber a) constPLMD::PDB
getAtomNumbers() constPLMD::PDB
getAtomRange(const std::string &chainname, AtomNumber &a_start, AtomNumber &a_end, std::string &errmsg) constPLMD::PDB
getAtomsInChain(const std::string &chainid) constPLMD::PDB
getAtomsInResidue(const unsigned &resnum, const std::string &chainid) constPLMD::PDB
getBeta() constPLMD::PDB
getBoxAng() constPLMD::PDB
getBoxAxs() constPLMD::PDB
getBoxVec() constPLMD::PDB
getChainID(const unsigned &resnumber) constPLMD::PDB
getChainID(AtomNumber a) constPLMD::PDB
getChainNames(std::vector< std::string > &chains) constPLMD::PDB
getMtype() constPLMD::PDB
getNamedAtomFromResidue(const std::string &aname, const unsigned &resnum) constPLMD::PDB
getNamedAtomFromResidueAndChain(const std::string &aname, const unsigned &resnum, const std::string &chain) constPLMD::PDB
getNumberOfAtomBlocks() constPLMD::PDB
getOccupancy() constPLMD::PDB
getPosition(AtomNumber a) constPLMD::PDB
getPositions() constPLMD::PDB
getResidueName(AtomNumber a) constPLMD::PDB
getResidueName(const unsigned &resnum) constPLMD::PDB
getResidueName(const unsigned &resnum, const std::string &chain) constPLMD::PDB
getResidueNumber(AtomNumber a) constPLMD::PDB
getResidueRange(const std::string &chainname, unsigned &res_start, unsigned &res_end, std::string &errmsg) constPLMD::PDB
hasFlag(const std::string &fname) constPLMD::PDB
mtypePLMD::PDBprivate
number2indexPLMD::PDBprivate
numbersPLMD::PDBprivate
occupancyPLMD::PDBprivate
operator<<(Log &ostr, const PDB &pdb)PLMD::PDBfriend
positionsPLMD::PDBprivate
print(const double &lunits, GenericMolInfo *mymoldat, OFile &ofile, const std::string &fmt)PLMD::PDB
read(const std::string &file, bool naturalUnits, double scale)PLMD::PDB
readFromFilepointer(FILE *fp, bool naturalUnits, double scale)PLMD::PDB
residuePLMD::PDBprivate
residuenamesPLMD::PDBprivate
setArgumentNames(const std::vector< std::string > &argument_names)PLMD::PDB
setArgumentValue(const std::string &argname, const double &val)PLMD::PDB
setAtomNumbers(const std::vector< AtomNumber > &atoms)PLMD::PDB
setAtomPositions(const std::vector< Vector > &pos)PLMD::PDB
setPositions(const std::vector< Vector > &v)PLMD::PDB
size() constPLMD::PDB