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jbrefort committed revision 3350 to the Open Babel SVN repository, changing 3 files.
2009-08-03 08:07:00 UTC in Open Babel
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jbrefort committed revision 3348 to the Open Babel SVN repository, changing 2 files.
2009-08-02 19:28:55 UTC in Open Babel
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jbrefort committed revision 47 to the The Blue Obelisk Data Repository SVN repository, changing 2 files.
2009-08-02 19:16:24 UTC in The Blue Obelisk Data Repository
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The space-groups.txt is not installed or installed at the wrong place.
2009-07-20 10:41:09 UTC in Open Babel
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There are two issues. First it uses x3 and y3 instead of x2 and y2 (if OpenBabel is used, OBMol::SetDimension would fix that), and second, much worse, the y coordinates are reversed from what they should be (low should be at bottom and high at top). May be this last point also affects other OpenBabel using exports, but I did not check.
2008-12-31 16:05:43 UTC in XDrawChem
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Yes, I saw that, it's a rounding issue and it can't be avoided. It would be possible to add decimals, but you might end as well with the sum being 180.1 or 108.01, or 179.9...
There is no way to give an exact value for the angles unless we use formal mathematics, but in that case the result might be a not really useful complex formula.
2008-12-15 09:02:34 UTC in OFSET
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I don't see the issue. What's wrong?.
2008-11-22 17:21:30 UTC in OFSET
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This one was fixed some times ago in svn.
2008-11-22 17:17:27 UTC in OFSET
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The cif parser does not like K+ and the like (O-). It's a bug.
2008-09-08 16:16:16 UTC in Open Babel
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glib has code that might be copied to OpenBabel, since it is lgpl-v2+, see g_ascii_strtod and g_ascii_dtostr.
2008-06-10 15:45:12 UTC in Open Babel
