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/
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