1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51
|
<map id="G" name="G">
<area shape="rect" id="node3" href="$canon_8h.shtml" title="Canonical labeling." alt="" coords="17,160,92,189"/>
<area shape="rect" id="node7" href="$mol_8h.shtml" title="Handle molecules. Declarations of OBMol, OBAtom, OBBond, OBResidue. (the main header for Open Babel)..." alt="" coords="2009,160,2068,189"/>
<area shape="rect" id="node111" href="$obiter_8h.shtml" title="STL-style iterators for Open Babel." alt="" coords="3483,83,3555,112"/>
<area shape="rect" id="node118" href="$ring_8h.shtml" title="Deal with rings, find smallest set of smallest rings (SSSR)." alt="" coords="3579,83,3637,112"/>
<area shape="rect" id="node123" href="$bitvec_8cpp.shtml" title="Fast and efficient bitstring class." alt="" coords="3661,83,3755,112"/>
<area shape="rect" id="node125" href="$residue_8cpp.shtml" title="Handle macromolecule residues." alt="" coords="3779,83,3877,112"/>
<area shape="rect" id="node5" href="$canon_8cpp.shtml" title="Canonical numbering of SMILES, molecules and fragments." alt="" coords="5,237,96,267"/>
<area shape="rect" id="node9" href="$alias_8h.shtml" title="OBGenericData class to for atom alias data (e.g., in 2D drawing programs for "COOH")" alt="" coords="1704,237,1765,267"/>
<area shape="rect" id="node11" href="$generic_8cpp.shtml" title="Handle OBGenericData classes. Custom data for atoms, bonds, etc." alt="" coords="1451,315,1549,344"/>
<area shape="rect" id="node13" href="$builder_8h.shtml" title="Class to build 3D structures." alt="" coords="3731,237,3808,267"/>
<area shape="rect" id="node15" href="$atom_8cpp.shtml" title="Handle OBAtom class." alt="" coords="3803,315,3888,344"/>
<area shape="rect" id="node17" href="$builder_8cpp.shtml" title="Handle OBBuilder class." alt="" coords="3685,315,3779,344"/>
<area shape="rect" id="node19" href="$mol_8cpp.shtml" title="Handle molecules. Implementation of OBMol." alt="" coords="3587,315,3661,344"/>
<area shape="rect" id="node21" href="$conformersearch_8h.shtml" title="Conformer searching using genetic algorithm." alt="" coords="1133,315,1280,344"/>
<area shape="rect" id="node23" href="$forcefield_8h.shtml" title="Handle forcefields." alt="" coords="221,315,317,344"/>
<area shape="rect" id="node25" href="$forcefield_8cpp.shtml" title="Handle OBForceField class." alt="" coords="171,392,283,421"/>
<area shape="rect" id="node27" href="$grid_8h.shtml" title="Handle grids of values." alt="" coords="323,237,381,267"/>
<area shape="rect" id="node30" href="$grid_8cpp.shtml" title="Handle grids of values." alt="" coords="341,315,416,344"/>
<area shape="rect" id="node32" href="$griddata_8cpp.shtml" title="OBGenericData class to connect numeric grids (e.g., orbitals, electrostatic potential) to molecules..." alt="" coords="440,315,544,344"/>
<area shape="rect" id="node34" href="$groupcontrib_8h.shtml" title="Handle group contribution algorithms." alt="" coords="835,315,952,344"/>
<area shape="rect" id="node36" href="$isomorphism_8h.shtml" title="OBIsomorphismMapper class for finding isomorphisms." alt="" coords="456,237,573,267"/>
<area shape="rect" id="node38" href="$align_8h.shtml" title="Perform a least-squares alignment of two molecules or two vectors of vector3 objects." alt="" coords="573,315,637,344"/>
<area shape="rect" id="node40" href="$obmolecformat_8h.shtml" title="Subclass of OBFormat for conversion of OBMol." alt="" coords="648,237,784,267"/>
<area shape="rect" id="node42" href="$xml_8h.shtml" title="Declaration of XMLConversion, declaration and definition of XMLBaseFormat and XMLMoleculeFormat." alt="" coords="719,315,777,344"/>
<area shape="rect" id="node44" href="$optransform_8h.shtml" title="Operations to change molecules using a datafile of chemical transformations OBChemTsfm." alt="" coords="1077,237,1192,267"/>
<area shape="rect" id="node46" href="$parsmart_8h.shtml" title="Daylight SMARTS parser." alt="" coords="909,237,1003,267"/>
<area shape="rect" id="node49" href="$parsmart_8cpp.shtml" title="Implementation of Daylight SMARTS parser." alt="" coords="997,315,1107,344"/>
<area shape="rect" id="node51" href="$pointgroup_8h.shtml" title="Brute-force point group detection." alt="" coords="1267,237,1371,267"/>
<area shape="rect" id="node53" href="$pointgroup_8cpp.shtml" title="Brute-force point group detection." alt="" coords="1305,315,1425,344"/>
<area shape="rect" id="node55" href="$query_8h.shtml" title="OBQuery, OBQueryAtom & OBQueryBond classes." alt="" coords="1496,237,1565,267"/>
<area shape="rect" id="node57" href="$reaction_8h.shtml" title="Handle chemical reactions (i.e., lists of reagents and products)." alt="" coords="1589,237,1680,267"/>
<area shape="rect" id="node59" href="$rotamer_8h.shtml" title="Handle rotamer list data." alt="" coords="3517,237,3605,267"/>
<area shape="rect" id="node65" href="$spectrophore_8h.shtml" title="Class to compute Spectrophores&tm;." alt="" coords="1789,237,1912,267"/>
<area shape="rect" id="node70" href="$bond_8cpp.shtml" title="Handle OBBond class." alt="" coords="1936,237,2019,267"/>
<area shape="rect" id="node72" href="$bondtyper_8cpp.shtml" title="Bond typer to perceive connectivity and bond orders/types." alt="" coords="2043,237,2160,267"/>
<area shape="rect" id="node76" href="$chains_8cpp.shtml" title="Parse for macromolecule chains and residues." alt="" coords="2184,237,2275,267"/>
<area shape="rect" id="node78" href="$chargemodel_8cpp.shtml" title="Base class for molecular partial charge models." alt="" coords="2299,237,2435,267"/>
<area shape="rect" id="node80" href="$chiral_8cpp.shtml" title="Detect chiral atoms and molecules." alt="" coords="2459,237,2544,267"/>
<area shape="rect" id="node82" href="$data_8cpp.shtml" title="Global data and resource file parsers." alt="" coords="2568,237,2648,267"/>
<area shape="rect" id="node86" href="$graphsym_8cpp.shtml" title="Handle and perceive graph symmtery for canonical numbering." alt="" coords="2672,237,2787,267"/>
<area shape="rect" id="node90" href="$kekulize_8cpp.shtml" title="Alternate algorithm to kekulize a molecule (OBMol::NewPerceiveKekuleBonds())." alt="" coords="4144,237,4248,267"/>
<area shape="rect" id="node92" href="$mcdlutil_8cpp.shtml" title="2D molecule coordinate generation." alt="" coords="2811,237,2912,267"/>
<area shape="rect" id="node95" href="$molchrg_8cpp.shtml" title="Assign Gasteiger partial charges." alt="" coords="2936,237,3037,267"/>
<area shape="rect" id="node97" href="$obiter_8cpp.shtml" title="STL-style iterators for Open Babel." alt="" coords="3883,237,3971,267"/>
<area shape="rect" id="node99" href="$obutil_8cpp.shtml" title="Various utility methods." alt="" coords="3061,237,3147,267"/>
<area shape="rect" id="node102" href="$patty_8cpp.shtml" title="Programmable atom typer." alt="" coords="3171,237,3256,267"/>
<area shape="rect" id="node104" href="$phmodel_8cpp.shtml" title="Read pH rules and assign charges." alt="" coords="3280,237,3387,267"/>
<area shape="rect" id="node107" href="$ring_8cpp.shtml" title="Deal with rings, find smallest set of smallest rings (SSSR)." alt="" coords="4045,237,4120,267"/>
<area shape="rect" id="node109" href="$rotor_8cpp.shtml" title="Rotate dihedral angles according to rotor rules." alt="" coords="3411,237,3493,267"/>
</map>
|