·
53 commits
to master
since this release
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: indigo-1.31.0-rc.1...indigo-1.32.0