OEWriteMol2FileΒΆ

void OEWriteMol2File(oemolostream &ofs, OEMolBase &mol, bool m2h=true,
                     bool substruct=false)

Writes the molecule as a Tripos mol2 format file to the output stream ‘ofs’. The ‘m2h’ parameter specifies whether implicit hydrogens should be written out as explicit hydrogens in the mol2 file. If the value of ‘m2h’ is false, the mol2 file writer attempts to suppress writing hydrogens, if the resulting connection table can be read unambiguously.