Activity for Termo
-
Termo posted a comment on ticket #760
And more weird stuff when looking at bond orders for the input inchi molecule: [b.GetBondOrder() for b in ob.OBMolBondIter(mol)] Out[40]: [2, 1, 1, 2, 2, 2, 1, 1, 1, 1] and the output of a small function I have made to give a bond dict: getbsum('InChI=1S/C6H4/c1-2-4-6-5-3-1/h1-4H', term='inchi') Out[43]: [defaultdict(int, {'[C]-1-[C]': 2, '[C]-1-[H]': 4, '[C]-2-[C]': 4}), #C 6 #H 4 dtype: int64] So 4 double bonds (should be 2) and no triple bonds (should be 1) ??
-
How can this bug still stick around? I just ran into it with Benzyne 'c1ccccc#1', which I suddenly found had wrong atomic count in my database... obabel -ismi -:'c1ccccc#1' -oreport -h FILENAME: FORMULA: C6H6 MASS: 78.1118 obabel -iinchi -:'InChI=1S/C6H4/c1-2-4-6-5-3-1/h1-4H' -oreport -h FILENAME: FORMULA: C6H4 MASS: 76.0960 Open Babel 2.4.1 -- Jan 19 2017
-
How can this bug still stick around? I just ran into it with Benzyne 'c1ccccc#1', which I suddenly found had wrong atomic count in my database... obabel -ismi -:'c1ccccc#1' -oreport -h FILENAME: FORMULA: C6H6 MASS: 78.1118 obabel -iinchi -:'InChI=1S/C6H4/c1-2-4-6-5-3-1/h1-4H' -oreport -h FILENAME: FORMULA: C6H4 MASS: 76.0960
-
Pft, maybe it is something about some corrupted mp3 tags?!? Clear the playlist and...
-
Me again with the nginx error.log. I'm running on a Raspberry2 running OSMC distro,...
-
Thanks - compiled fine now...
-
ANT build fails with SVN 1.8.8 of Ubuntu 14.04
-
Yep, now it works in latest revision (2221) for me also :)
-
Still no idea of why the calendar doesn't work after rev 2200?
-
still same issue on 2208...
-
I'm not sure what you mean by itemid but, if' it's a similar error log as by friflaj...
-
I still have this issue from rev. 2201 in current rev. 2205... Using thunderbird...
-
I still have this issue from revision 2201 and up to 2205 now... Using thunderbird...
-
I still have this issue on revision 2201 and up to 2205 now... Using thunderbird...
1