> 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
[email protected]
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
