Indigo 1.32.0

Released 2025-06-18

Features

  • 2767 Add support for Postgres 17

  • 1970 New text entities in KET-format

  • 2843 Support of “HELM alias” property for monomers

  • 2844 Support for “Modification Type” property of monomers

  • 2870 Add suuport for flip expanded monomer

  • 2840 Add InChI key method to cpp api

Bugfixes and improvements

  • 2805 Saving of 3:3 reaction to SDF v2000 causes exception: Convert error! core: <reaction> is not a base molecule

  • 2781 Ketcher fails to save structure in MOL V3000 format when encountering custom attachment labels like “Ch”

  • 2851 Macromolecule property Molecular mass wrong calculation

  • 2772 Saving monomers to SDF v3000 works wrong - system saves every monomer template for every monomer on the canvas

  • 2860 Copy to clipboard doesn’t work if Multi-Tailed Arrow present on the canvas

  • 2858 Export to any format doesn’t work. System throw exception

  • 2047 Saved Ellipse and Line Shapes in CDX, CDXML, Base 64 CDX formats are not correctly displayed after opening

  • 2868 Indigo use wrong rotate parameter name KET files

  • 2867 API calculateMacroProperties does not allow to pass parameters for UPC and NAC

  • 2859 System wrongly reverse reaction order on Calculated Values dialog (and thus - values are wrong)

  • 2462 Can’t save a reaction with Multi-Tailed Arrow to Daylight SMARTS format

  • 2892 API calculateMacroProperties does not work if only molecule passed as a parameter without monomers

  • 2888 Unable to export single expanded monomer to SVG Image, system throws error: array: invalid index 0

  • 1679 System ignores carrige return in text blocks in loaded CDX

  • 1683 System shifts text label to the right

  • 2897 Calculated Values doesn’t work if reaction arrow overlaps reactant bounding box

  • 2931 Calculated values doesn’t work for “rich” monomer chain

  • 2917 Molecular mass and Molecular formula are not calculated for Molecule (custom CHEM)

  • 2939 System doesn’t calculate melting temperature for GC nucleotides pair

  • 2930 System shouldn’t count bases that are not part of a nucleotide/nucleoside as RNA/DNA

  • 2947 System “caches” PNG/SVG of canvas and stops reflect rotation/flip chanages if any

  • 2987 Melting temperature value missed if UPC or NAC value set to zero

  • 2946 Non-standard connections cause chain break in macromolecule properties calculation

  • 2902 Indigo does not calculate properties for Peptides tab if Phosphate is missing in mixed chain

  • 2903 Indigo fails to calculate properties when two chains are connected via a microstructure

  • 2904 Indigo fails to calculate properties when two chains are connected via a CHEM

  • 2905 Incorrect Calculate Properties result when monomers are connected via not a R2-R1

Full Changelog: https://github.com/epam/Indigo/compare/indigo-1.31.0-rc.1…indigo-1.32.0