Indigo 1.3.0 beta

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Savelyev Alexander

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Dec 31, 2016, 2:22:38 PM12/31/16
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Hello All

We are glad to announce the next indigo version release. Version 1.3.0 beta includes lots of new features and improvements

  • Lucene/SOLR cartdridge was added. See documentation
  • Name to structure prototype method was added. See details
  • Updated set of rules for CIP descriptors calculations
  • Updated functionality for standardize method (option standardize-fix-direction-wedge-bonds ) for redirection stereo bonds out of cycle if it is possible. fixed
  • Rendering sgroups fixed
  • Depict version and inchi parameters fixed
  • Charged pseudos rendering fixed
  • Added support of saving reactions in CDXML format fixed
  • OS X 10.11 support was added
  • Keeping properties for reaction monomers was fixed
  • clean2d() function for “small” layout changes was implemented
  • New elements up to Uuo were added
  • New method massComposition for elements mass calculation was added
  • Added Sgroups (GEN, MUL, SRU, SUP types) support into CML loader/saver
  • Dearomatization for R-Groups was added
  • Fixed issue in Molfile loader for templates loading
  • Modified encode/decode from ASCII to UTF-8 for support non-Latin characters in Indigo python output
  • Added support Rgroup attachment points with query features combination
  • Reaction Gross formula and mass were added
  • Atom to atom mapping algorithm improvement (multiple matching possibility)
  • Exception handling on macOS was fixed
  • Added correct alias saving into V2000 molfile
  • CTAB -> SCSR transformation algorithm was modified
  • Reset settings method was added for Indigo
  • New methods checkValence, checkQuery were added.
  • Other features and fixes


Full changelog can be found here

The new Indigo version can be found on the Download page

We look forward to receiving from you feedback, suggestions and bug reports!

Indigo Team wishes you Merry Christmas and Happy New Year!!!

With best regards
Aleksandr Savelev
EPAM Systems
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