Re: [Open Babel] Shortest path between 2 atoms

Hi, On Tue, Aug 2, 2011 at 10:47 PM, Noel O'Boyle wrote: > On 2 August 2011 14:08, Pascal Muller wrote: >> Hi, >> > I would to know the number of bonds between two atoms within a molecule > (i.e. the shortest path). >> You're looking for a breadth-first search (BFS) You just n

Re: [Open Babel] SDF conversion test results

Thanks Noel! I'm very much impressed about the OpenBabel support - even though it is not a commercial product you take these issues seriously. Much appreciated! On Tue, Aug 16, 2011 at 1:48 PM, Noel O'Boyle wrote: > I've looked into the stereo examples and fixed 1 and 2 in SVN, > bringing the num

Re: [Open Babel] SDF conversion test results

On 17 August 2011 11:56, Róbert Kiss wrote: > Thanks Noel! I'm very much impressed about the OpenBabel support - > even though it is not a commercial product you take these issues > seriously. Much appreciated! > On Tue, Aug 16, 2011 at 1:48 PM, Noel O'Boyle wrote: >> I've looked into the stereo