OPSIN 1.2

We have updated the OPSIN library used by CIR to version 1.2. Daniel lists the following improvements in his release notes:

  • Basic support for cylised carbohydrates e.g. alpha-D-glucopyranose
  • Basic support for systematic carbohydrate stems e.g. D-glycero-D-gluco-Heptose
  • Added heuristic for correcting esters with omitted spaces
  • Added support for xanthates/xanthic acid
  • Minor vocabulary improvements
  • Fixed a few minor bugs/limitations in the Cahn-Ingold-Prelog rules implementation and made more memory efficient
  • Many minor improvements and bug fixes

Nice Work!

Markus