Hi, Playing with some PDBs for the first time with openbabel and I want to know if a particular atom is a HETATM record.
Starting from a pybel.Atom, it seems I have to do a.OBAtom.GetResidue().IsHetAtom(a.OBAtom) Is this the best way? Just seems a little obtuse going through the Residue and then back to the atom. I just want to make sure I'm not missing something. Thanks, David ------------------------------------------------------------------------------ Managing the Performance of Cloud-Based Applications Take advantage of what the Cloud has to offer - Avoid Common Pitfalls. Read the Whitepaper. http://pubads.g.doubleclick.net/gampad/clk?id=121054471&iu=/4140/ostg.clktrk _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
