[Open Babel] Possible bug source... smiles mol2 conversion

2010-10-21 Thread JP
Hi there, A colleague of mine and myself noticed this 'interesting' behaviour earlier on today - and I thought I'd drop you an email to get your feedback on this. A simple test - using Open Babel 2.2.3 -- Sep 15 2010 -- 15:57:55 Put this line in co2h.smi: (=O)(O) Then run: babel co2h.smi c

Re: [Open Babel] [OpenBabel-Devel] Version 2.3.0 Release Candidate 1

2010-10-21 Thread Tim Vandermeersch
On Thu, Oct 21, 2010 at 1:35 AM, Tim Vandermeersch wrote: > On Wed, Oct 20, 2010 at 4:29 PM, Igor Filippov [Contr] > wrote: >> Tim, >> >>> I'll take a look since it is an important format to support. This >>> should be the last major issue for static building though. >>> >> >> Great - thank you!

Re: [Open Babel] Possible bug source... smiles mol2 conversion

2010-10-21 Thread Geoffrey Hutchison
On Oct 21, 2010, at 12:13 PM, JP wrote: > A colleague of mine and myself noticed this 'interesting' behaviour earlier > on today - and I thought I'd drop you an email to get your feedback on this. Mol2 has this strange feature that carboxylates are evidently supposed to be marked with "aromati