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_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
checkForResidue(const std::string &name) const	PLMD::PDB
flags	PLMD::PDB	private
getArgumentNames() const	PLMD::PDB
getArgumentValue(const std::string &name, 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
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, SetupMolInfo *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