Previous Page Up One Level Next Page OEChem - C++ Theory Manual
Version 1.3.1
Contents
Previous: 23.5.1 OEReadMacroModelFile Up: 23.5 MacroModel File Format Next: 23.6 XYZ File Format

23.5.2 OEWriteMacroModelFile 

void MyWriteMacroModelMolecule(oemolostream &ofs, OEMolBase &mol)
{
  if (! OEHasResidues(mol))
    OEPerceiveResidues(mol);
  OEMacroModelAtomTypes(mol);
  OEWriteMacroModelFile(ofs, mol);
}

Previous Page Up One Level Next Page OEChem - C++ Theory Manual
Version 1.3.1
Contents
Previous: 23.5.1 OEReadMacroModelFile Up: 23.5 MacroModel File Format Next: 23.6 XYZ File Format
Documentation released on July 30, 2004.