From: Vincent Favre-N. <Vin...@ce...> - 2012-06-25 15:52:10
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Bonjour, As already said, the "_data" statement is missing at the beginning - if you add "data_I" on the first line before the "_audit..." line it is read correctly by babel (1 warning). Le 25/06/2012 10:42, Dominique Massiot a écrit : > > ============================== > *** Open Babel Warning in OpenBabel::OBGlobalDataBase::Init > Unable to open data file 'space-groups.txt' > ============================== > *** Open Babel Warning in OpenBabel::OBGlobalDataBase::Init > Cannot initialize database Now that looks strange - how did you install openbabel ? Looks like the data files are not where expected. Did you just compile obabel, or did you also install it ? Vincent -- Vincent Favre-Nicolin http://inac.cea.fr CEA/Grenoble Institut Nanosciences & Cryogénie Laboratoire SP2M/Nano-structures et Rayonnement Synchrotron 17, rue des Martyrs 38054 Grenoble Cedex 9 - France Université Joseph Fourier http://www.ujf-grenoble.fr tél: (+33) 4 38 78 95 40 fax: (+33) 4 38 78 51 38 |