indigo-1.18.0

What's Changed

Features

• #1436 Expose Fold/Unfold hydrogens function in indigo API
• #1440 Add support for query features in MOL, SDF and RXN formats (Marvin extension)
• #1426 Import sequence format for RNA, DNA and PEPTIDES
• #1589 Apply hydrogens folding/unfolding with respect to selected atoms

Bugs

• #1232 Multi-line reaction cause access violationg exception.
• #1423 Common atoms loaded as aliphatic in SMARTS mode
• Update bug_report.md
• #1458 Failed UT api\indigo_test.py:test_convert_smarts
• #1460 ImplicitH set to zero casue error loading query molecule from ket
• #1446 Dearomatization does not work with query features
• PostgreSQL 11 EOL support
• #1465 Unable to load specific mol-file
• #1484 Query molecule convert implicit/explicit hydrogens cause error
• #1512 Broken string-formats support for wasm
• #1452 Convert from implicit hydrogens change layout
• #1463 Macro: Some molecules are not perfect on preview tooltip
• #1524 Dearomatizing doesn't work for molecula with custom query fetures
• #1568 Wrong molecule nodes enumeration in KET-file
• #1476 Aromatization/Dearomatization wipes out SOME Ring bond count values
• #1478 Dearomatization causes exception in case of Implicit H count query feature set to 4 (i.e. more than 2)
• #1525 System attach two explicit hydrogens to aromatized ring
• #1573 Add/Remove explicit hydrogens can't be applied to fullerene C60 - system throws exception
• #1567 System can't copy atom with custom query feature to clipboard
• #1534 Presence of stand alone H2 molecule on the canvas breaks Add explicit hydrogens feature (it stops working)
• #1468 Valence lost on loading molfile with MRV extension.
• #1472 Dearomatization wipes out Aromaticity query property
• #1504 Molfile MRV extension generated for "H count"
• #1500 Atom Query feature export: System replace "Ring membership" values with "Ring Bond Count" ones for value 0 - export to SDF V2000 file
• #1564 Add/Remove explicit hydrogens wanishes "Chirality" value
• #1598 Macro: V3000 export: leaving groups are displayed as side chain connections for standard presets added to canvas
• #1533 System attach two explicit hydrogens to atoms connected to "any type" bonds
• #1608 convert_explicit_hydrogens response doesn't comply with the ket schema
• #1538 Add/Remove explicit hydrogens feature doesn't work if atom with problem valence present on canvas (crash happens)
• #1614 Adding hydrogens doesn't work for bonds with No center value of Reacting Center
• #1550 Add/Remove explicit hydrogens feature doesn't work for "Any Atom" molecule with valence value set
• #1593 Macro: V3000 import: removed 5' phosphate is displayed in Ketcher
• #1483 Unable to past empty reaction (arrow only) from clipboard to canvas
• #1607 Unable to load large base64 CDX content to canvas if remote indigo used`
• #1536 Add/Remove explicit hydrogens feature doesn't work for reactions on canvas (crash happens)
• #1652 Unfold hydrogens does not select added bonds
• #1640 System adds hydrogens for only one atom among many selected by
• #1634 Add/Remove hydrogens doesn't work for atoms with Radical=Triplete if atom with query feature present on the canvas
• #1629 Add/Rmove hydrogens process should count R-Group attachment point as hydrogen
• #1695 CDX loader failed if object with zero id follow by reaction
• #1697 CDX loader crashed on some files with abbreviations by
• #1684 System put on the canvas two arrows (one above other) per each arrow on target CDX
• #1724 Fold hydrogen in reaction with selection works wrong by
• #1730 UT cano/permutations is too slow by
• #1576 Bad molecule layout after adding hydrogens (Chlorophyll A)
• #1685 System shows attached abbreviation group in wrong position

New Contributors

• @AlexeyGirin made their first contribution in #1434

Full Changelog: indigo-1.17.0...indigo-1.18.0