> Create a list? :) I'll need to google and find an exemple to copy > paste... hope to find some code easy to understand.
There's plenty of code in src/mol.cpp, for example for deleting hydrogens: OBMol *mol; OBAtom *atom; vector<OBAtom*>::iterator i; vector<OBAtom*> delatoms; for (atom = mol.BeginAtom(i);atom;atom = mol.NextAtom(i)) if (atom->IsHydrogen()) delatoms.push_back(atom); for (i = delatoms.begin();i != delatoms.end();++i) DeleteAtom((OBAtom *)*i); Hope that helps, -Geoff ------------------------------------------------------------------------------ Start uncovering the many advantages of virtual appliances and start using them to simplify application deployment and accelerate your shift to cloud computing. http://p.sf.net/sfu/novell-sfdev2dev _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss