The dev version will be 3.0. I've written up docs on the migration but am away from that computer right now. Looking at the Python tests ( https://github.com/openbabel/openbabel/blob/master/test/testbindings.py) I see:
from openbabel import openbabel as ob ob.GetAtomicNum() o On Sat, 20 Apr 2019 at 13:36, Thomas Evangelidis <teva...@gmail.com> wrote: > Greetings, > > I have a rather old code which was working with OpenBabel-2.4.1. However, I > yesterday switched to the latest development version (I think VERSION 2.8.10) > from github. > > https://github.com/openbabel/openbabel > > After installing it I got an ImportError saying that 'OBElementTable' is > missing. Was this table really removed, and if yes, how can I adapt my code > below to work with the latest version? > > I thank you in advance. > > Thomas > > > > from openbabel.openbabel import OBElementTable >> >> # ELEMENT TABLE TO DETERMINE VDW AND COVALENT BONDS >> et = OBElementTable() >> > # CONVERT ELEMENT SYMBOLS TO ATOMIC NUMBERS > atomicnums = (et.GetAtomicNum(str(element)) for element in config['elements']) > > # GET ATOM RADII FOR THE LIGAND ATOM > hetatm_cov = et.GetCovalentRad(hetatm.GetAtomicNum()) > hetatm_vdw = et.GetVdwRad(hetatm.GetAtomicNum()) > > label = "{0}.{1}-B{2}".format(et.GetSymbol(x), et.GetSymbol(y), i) > > > > -- > > ====================================================================== > > Dr. Thomas Evangelidis > > Research Scientist > > IOCB - Institute of Organic Chemistry and Biochemistry of the Czech > Academy of Sciences <https://www.uochb.cz/web/structure/31.html?lang=en>, > Prague, > Czech Republic > & > CEITEC - Central European Institute of Technology <https://www.ceitec.eu/> > , Brno, Czech Republic > > email: teva...@gmail.com, Twitter: tevangelidis > <https://twitter.com/tevangelidis>, LinkedIn: Thomas Evangelidis > <https://www.linkedin.com/in/thomas-evangelidis-495b45125/> > > website: https://sites.google.com/site/thomasevangelidishomepage/ > > > > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss >
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