Re: [Open Babel] Build a pdb molecule. problem to provide the atoms name

Residue->SetAtomId(atom, string) http://openbabel.org/api/2.3/classOpenBabel_1_1OBResidue.shtml#ad4945233e0066b2b6fbfbe0ed73ae7bc -David > On Nov 18, 2016, at 8:27 AM, ivan petit wrote: > > Hi, > > I’m trying to write a pdb file by using OBMol, OBAtom,... class in c++. > I only have a probl

[Open Babel] Build a pdb molecule. problem to provide the atoms name

Hi, I’m trying to write a pdb file by using OBMol, OBAtom,... class in c++. I only have a problem to define the name of the atoms. I need to choice myself there names. For this I use SetType of OBAtom : OBAtom *Atom; Atom→SetType(NewName[i]); // NewName[i] is a string The command Atom→Get