User a50c3bcf44
13-08-2015 11:11:59
Hi,
Apologies if this is the incorrect forum section for posting this.
I'm currently replicating the MarvinJS support webservices in JRuby (we have a pre-exsting JRuby/Sintra API for a legacy application) using an older version of JChem 5.7.3). The majority have been fairly trivial, but I've hit a snag with CIP Stereo analysis.
I'm using the chemaxon.core.calculations.stereo.CIPStereoRecognizer, which returns a HashSet of descriptors, but I think I'm missing a further rule set which interprets these properly. Iterating over the Hashset, parsing and returning to the MarvinJS is giving me incorrect results against Marvin Sketch and the MarvinJS demo site.
I've not managed to integrate the CIPStereoDescriptorIface in JRuby - the missing step?
Thanks for your help,
Nathan