These errors are not correct, the appropriate fields exist in this cif file.
Regards, Jean Le mardi 30 août 2011 à 15:35 +0100, Noel O'Boyle a écrit : > Hi Vincent, > > For some time I have been using hashizume.cif (in > scripts/python/examples) to test the Python bindings. Some time ago, > the test started to fail due to the text below which now appears which > hashizume.cif is read: > > user@ubuntu904desktop:~/Tools/openbabel/nightly/ob-build/test$ > ../../ob-build/bin/obabel > ../../openbabel/scripts/python/examples/hashizume.cif -osmi > ============================== > *** Open Babel Error in ExtractUnitCell > CIF ERROR: missing a,b or c value - cannot interpret structure ! > ============================== > *** Open Babel Warning in ExtractSpacegroup > CIF ERROR: missing spacegroup description: defaulting to P1... > O=C(NC(=O)NCC)CCC(C)C 1-ethyl-3-(4-methylpentanoyl)urea > > Are these errors correct? I opened the file in Mercury and the entries > have a,b and c values and a spacegroup of P-1. > > - Noel > > ------------------------------------------------------------------------------ > Special Offer -- Download ArcSight Logger for FREE! > Finally, a world-class log management solution at an even better > price-free! And you'll get a free "Love Thy Logs" t-shirt when you > download Logger. Secure your free ArcSight Logger TODAY! > http://p.sf.net/sfu/arcsisghtdev2dev > _______________________________________________ > OpenBabel-Devel mailing list > OpenBabel-Devel@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-devel ------------------------------------------------------------------------------ Special Offer -- Download ArcSight Logger for FREE! Finally, a world-class log management solution at an even better price-free! And you'll get a free "Love Thy Logs" t-shirt when you download Logger. Secure your free ArcSight Logger TODAY! http://p.sf.net/sfu/arcsisghtdev2dev _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
