Dear open babel users,
I'm adding hydrogens in python script using pep.OBMol.AddHydrogens(False, True, 7) function (where pep is pybel molecule). But after saving this to PDB file I've got a problem: all hydrogens are written AFTER all heavy atoms, but I don't want this. I'd like to have common representation where all hydrogens follow the atom where they are connected to.
Is there a simple way to do this?
Thanks,
Chugunov Anton.
------------------------------------------------------------------------------ Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/
_______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
