[Open Babel] Help please

hi.I wanted to know is how this article was composed or found a way to synthesize it? Or if you can find me.'m Grateful. Acetic acid 2a,7,10-trimethyl-3-oxo-2,2a,3,4,4a,5,6,7,7a,8,10b,10c-dodecahydro-naphtho[2,1,8-cde]azulen-5-yl ester

[Open Babel] SMARTS matching and tautomers

Hi, I have a database with standard InChI's that I would like to do substructure matches on with openbabel/pybel. My problem is that the InChI's are given with non-intuitive tautomers (eg. amides have the double bond to the nitrogen instead of the oxygen if possible), leading to confusion when

Re: [Open Babel] SMARTS matching and tautomers

I don't think Fixed-H InChIs will help here. The InChI was never intended as a way to store chemical information, but just to be an index, so that several tautomeric forms will all give the same InChI. If you use it to store structures, then you have to accept that the original structure will be no

Re: [Open Babel] Adopt a molecule drawing widget?

> My previous email didn't sound very enthusiastic. :-) But I am. All > code contributions are much appreciated. And there are a *lot* of Qt users for Open Babel. At one point there was a Qt GUI. http://kopenbabel.sourceforge.net I don't know if it's maintained (the website looks old) but I mig

Re: [Open Babel] Help please

> hi.I wanted to know is how this article was composed or found a way to > synthesize it? That's not really our thing. We write software that helps people index, convert, etc. chemicals. Your best bet is to find an organic synthesis forum. A quick Google search suggested: http://www.chemicalforu