| addBlockEnd(const unsigned &end) | PLMD::PDB | |
| addRemark(std::vector< std::string > &v1) | PLMD::PDB | |
| allowedResidue(const std::string &type, const std::string &residuename) const | PLMD::PDB | |
| arg_data | PLMD::PDB | private |
| argnames | PLMD::PDB | private |
| atomsymb | PLMD::PDB | private |
| beta | PLMD::PDB | private |
| block_ends | PLMD::PDB | private |
| Box | PLMD::PDB | private |
| BoxABG | PLMD::PDB | private |
| BoxXYZ | PLMD::PDB | private |
| chain | PLMD::PDB | private |
| checkForAtom(const std::string &name) const | PLMD::PDB | |
| checkForAtom(AtomNumber a) const | PLMD::PDB | |
| checkForResidue(const std::string &name) const | PLMD::PDB | |
| flags | PLMD::PDB | private |
| getArgumentNames() const | PLMD::PDB | |
| getArgumentValue(const std::string &name, std::vector< double > &value) const | PLMD::PDB | |
| getAtomBlockEnds() const | PLMD::PDB | |
| getAtomName(AtomNumber a) const | PLMD::PDB | |
| getAtomNumbers() const | PLMD::PDB | |
| getAtomRange(const std::string &chainname, AtomNumber &a_start, AtomNumber &a_end, std::string &errmsg) const | PLMD::PDB | |
| getAtomsInChain(const std::string &chainid) const | PLMD::PDB | |
| getAtomsInResidue(const unsigned &resnum, const std::string &chainid) const | PLMD::PDB | |
| getBeta() const | PLMD::PDB | |
| getBoxAng() const | PLMD::PDB | |
| getBoxAxs() const | PLMD::PDB | |
| getBoxVec() const | PLMD::PDB | |
| getChainID(const unsigned &resnumber) const | PLMD::PDB | |
| getChainID(AtomNumber a) const | PLMD::PDB | |
| getChainNames(std::vector< std::string > &chains) const | PLMD::PDB | |
| getMtype() const | PLMD::PDB | |
| getNamedAtomFromResidue(const std::string &aname, const unsigned &resnum) const | PLMD::PDB | |
| getNamedAtomFromResidueAndChain(const std::string &aname, const unsigned &resnum, const std::string &chain) const | PLMD::PDB | |
| getNumberOfAtomBlocks() const | PLMD::PDB | |
| getOccupancy() const | PLMD::PDB | |
| getPosition(AtomNumber a) const | PLMD::PDB | |
| getPositions() const | PLMD::PDB | |
| getResidueName(AtomNumber a) const | PLMD::PDB | |
| getResidueName(const unsigned &resnum) const | PLMD::PDB | |
| getResidueName(const unsigned &resnum, const std::string &chain) const | PLMD::PDB | |
| getResidueNumber(AtomNumber a) const | PLMD::PDB | |
| getResidueRange(const std::string &chainname, unsigned &res_start, unsigned &res_end, std::string &errmsg) const | PLMD::PDB | |
| hasFlag(const std::string &fname) const | PLMD::PDB | |
| mtype | PLMD::PDB | private |
| number2index | PLMD::PDB | private |
| numbers | PLMD::PDB | private |
| occupancy | PLMD::PDB | private |
| operator<<(Log &ostr, const PDB &pdb) | PLMD::PDB | friend |
| positions | PLMD::PDB | private |
| 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 | |
| residue | PLMD::PDB | private |
| residuenames | PLMD::PDB | private |
| 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() const | PLMD::PDB | |
1.8.17