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
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