Hi, On Thu, Oct 11, 2012 at 10:47:27PM +0200, Johannes Ranke wrote: > Upstream has indigo 1.1.5, and since 1.1.3 they use the Hill convention > for their GrossFormula function.
I realized the other day, but only after the wheezy freeze was in effect... > It would be great if the latest upstream version could be packaged, > because the molecular formulas given by 1.0.0 are not what would be > expected and therefore the GrossFormula function does not completely > fulfil its purpose. > > Maybe it is worth to mention that indigo works very nicely for me apart > from this. It is great for generating standardised structure > representations from SMILES codes, calculating molecular weights to go > with it and I am sure for many other chemoinformatics tasks. Glad you like it! I will take a look at uploading indigo-1.1.5 to experimental at least and then backporting it to squeeze, but the build system has changed since 1.0.0 (at least they are using CMake now, not some home-grown Makefiles), so it might take a bit. Cheers, Michael -- To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org
