Ah, ok. For OpenBabel 2.3.2 the location of the data directory reads %appdata%\OpenBabel-2.3.2\data or the long form C:\Users\<username>\AppData\Roaming\OpenBabel-2.3.2\data I assume that you could not find UFF.prm the files as AppData is a hidden directory.
Best regards Andreas -------- Original-Nachricht -------- Betreff: Re: [Open Babel] question regarding error messages and poor results Von: Moshe Ben-zion <moshe.ben-z...@biu.ac.il> An: Andreas Kempe <a.ke...@isd.uni-hannover.de> Datum: 28.02.2016 10:08 > > Dear Andreas, > > Apparently when I installed OpenBabel 2.3.2, the additional > directory and file(s) did not get installed. I have no OpenBabel > directory in my ProgramData directory and no UFF.prm anywhere on my > computer. How does one go about correcting this? > > All the best, > > Moshe > > > > *From:*Andreas Kempe [mailto:a.ke...@isd.uni-hannover.de] > *Sent:* Friday, February 26, 2016 3:57 PM > *To:* Moshe Ben-zion <moshe.ben-z...@biu.ac.il>; > openbabel-disc...@lists.sf.net > *Subject:* Re: [Open Babel] question regarding error messages and poor > results > > > > obabel is looking for data files that contain atom definitions, force > field parameters and so on. > You need to set the enviroment variable BABEL_DATADIR either globally > or in your batch file, e.g. add > set BABEL_DATADIR=C:\ProgramData\OpenBabel-2.3.1\data > > The directory might be different on your system. So simply search for > UFF.prm and set the variable accordingly. > > Best regards > Andreas > > > -------- Original-Nachricht -------- > Betreff: [Open Babel] question regarding error messages and poor results > Von: Moshe Ben-zion <moshe.ben-z...@biu.ac.il> > <mailto:moshe.ben-z...@biu.ac.il> > An: openbabel-disc...@lists.sf.net > <mailto:openbabel-disc...@lists.sf.net> > <openbabel-disc...@lists.sf.net> <mailto:openbabel-disc...@lists.sf.net> > Datum: 25.02.2016 11:23 > > I would greatly appreciate some help with my problem. > > I am not a linux programmer and am using the obabel in a batch > file (or the Open Babel GUI) when I try to convert smi files to 3d > sdf format using Gen3d, I get a lot of error messages such as: > > > > I tried to find an explanation in your forum but did not > understand what I found there. > > In addition, the 3d coordinates were quite terrible for many of > the compounds that I calculated see attached file > > Expected structure > > > > Calculated structure > > > > Thanks, advance for your help, > > M. Ben-Tzion > > > > Dr. Moshe Ben-Tzion > > Department of Chemistry > > Bar-Ilan University, Ramat Gan 52900, Israel > > e-mail: ben...@biu.ac.il <mailto:ben...@biu.ac.il> > > Website: http://ch.biu.ac.il/bentzion > > Tel: (03) 531-8305 Fax: 972-3-738-4053 > > Cell:(054) 660-3310 Beeper: 88341(610-6666) > > ============================================= > > In the beginning there was nothing and then G-d created light. > > And there was still nothing but you could see it better. > > > > > > > > ------------------------------------------------------------------------------ > > Site24x7 APM Insight: Get Deep Visibility into Application Performance > > APM + Mobile APM + RUM: Monitor 3 App instances at just $35/Month > > Monitor end-to-end web transactions and take corrective actions now > > Troubleshoot faster and improve end-user experience. Signup Now! > > http://pubads.g.doubleclick.net/gampad/clk?id=272487151&iu=/4140 > > > > > _______________________________________________ > > OpenBabel-discuss mailing list > > OpenBabel-discuss@lists.sourceforge.net > <mailto:OpenBabel-discuss@lists.sourceforge.net> > > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > > >
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