-
Notifications
You must be signed in to change notification settings - Fork 22
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
bump indigo version to 1.18.0 (#122)
- Loading branch information
1 parent
490a8a7
commit debc85a
Showing
7 changed files
with
241 additions
and
3 deletions.
There are no files selected for viewing
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,49 @@ | ||
| Bingo 1.18.0 | ||
| ------------ | ||
|
|
||
| The changelog is available `on this page <../../indigo/release-notes/indigo-1.18.0.html>`__ | ||
|
|
||
| .. list-table:: | ||
| :header-rows: 1 | ||
| :stub-columns: 1 | ||
| :widths: 28 24 24 24 | ||
|
|
||
| * - | ||
| - |image0| Linux | ||
| - |image1| Windows | ||
| - |image2| Mac OS | ||
| * - Oracle | ||
| - `64-bit <https://lifescience.opensource.epam.com/downloads/bingo-1.18.0/bingo-oracle-linux-x86_64.zip>`__ | ||
| - `64-bit <https://lifescience.opensource.epam.com/downloads/bingo-1.18.0/bingo-oracle-windows-msvc-x86_64.zip>`__ | ||
| - binaries upon request. | ||
| * - PostgreSQL 15 | ||
| - `64-bit <https://lifescience.opensource.epam.com/downloads/bingo-1.18.0/bingo-postgres-15-linux-x86_64.zip>`__ | ||
| - `64-bit <https://lifescience.opensource.epam.com/downloads/bingo-1.18.0/bingo-postgres-15-windows-x86_64.zip>`__ | ||
| - `64-bit <https://lifescience.opensource.epam.com/downloads/bingo-1.18.0/bingo-postgres-15-macos-x86_64.zip>`__ | ||
| * - PostgreSQL 14 | ||
| - `64-bit <https://lifescience.opensource.epam.com/downloads/bingo-1.18.0/bingo-postgres-14-linux-x86_64.zip>`__ | ||
| - `64-bit <https://lifescience.opensource.epam.com/downloads/bingo-1.18.0/bingo-postgres-14-windows-x86_64.zip>`__ | ||
| - `64-bit <https://lifescience.opensource.epam.com/downloads/bingo-1.18.0/bingo-postgres-14-macos-x86_64.zip>`__ | ||
| * - PostgreSQL 13 | ||
| - `64-bit <https://lifescience.opensource.epam.com/downloads/bingo-1.18.0/bingo-postgres-13-linux-x86_64.zip>`__ | ||
| - `64-bit <https://lifescience.opensource.epam.com/downloads/bingo-1.18.0/bingo-postgres-13-windows-x86_64.zip>`__ | ||
| - `64-bit <https://lifescience.opensource.epam.com/downloads/bingo-1.18.0/bingo-postgres-13-macos-x86_64.zip>`__ | ||
| * - PostgreSQL 12 | ||
| - `64-bit <https://lifescience.opensource.epam.com/downloads/bingo-1.18.0/bingo-postgres-12-linux-x86_64.zip>`__ | ||
| - `64-bit <https://lifescience.opensource.epam.com/downloads/bingo-1.18.0/bingo-postgres-12-windows-x86_64.zip>`__ | ||
| - `64-bit <https://lifescience.opensource.epam.com/downloads/bingo-1.18.0/bingo-postgres-12-macos-x86_64.zip>`__ | ||
| * - PostgreSQL 11 | ||
| - `64-bit <https://lifescience.opensource.epam.com/downloads/bingo-1.18.0/bingo-postgres-11-linux-x86_64.zip>`__ | ||
| - `64-bit <https://lifescience.opensource.epam.com/downloads/bingo-1.18.0/bingo-postgres-11-windows-x86_64.zip>`__ | ||
| - `64-bit <https://lifescience.opensource.epam.com/downloads/bingo-1.18.0/bingo-postgres-11-macos-x86_64.zip>`__ | ||
| * - Microsoft SQL Server | ||
| - \- | ||
| - `64-bit <https://lifescience.opensource.epam.com/downloads/bingo-1.18.0/bingo-sqlserver-windows-x86_64.zip>`__ | ||
| - \- | ||
|
|
||
| `Source code on GitHub <http://github.com/epam/indigo>`__ | ||
|
|
||
|
|
||
| .. |image0| image:: ../../assets/Linux.png | ||
| .. |image1| image:: ../../assets/Windows.png | ||
| .. |image2| image:: ../../assets/AppleSZ.png |
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,98 @@ | ||
|
|
||
| .. toctree:: | ||
| :hidden: | ||
| :includehidden: | ||
|
|
||
| ../../indigo/release-notes/index.rst | ||
|
|
||
|
|
||
| Indigo 1.18.0 | ||
| ------------- | ||
|
|
||
| Language Bindings | ||
| ~~~~~~~~~~~~~~~~~ | ||
|
|
||
| .. list-table:: | ||
| :header-rows: 0 | ||
| :stub-columns: 1 | ||
|
|
||
| * - |p-icon| Python | ||
| - `indigo-python.zip <https://lifescience.opensource.epam.com/downloads/indigo-1.18.0/indigo-python.zip>`__ | ||
| * - |j-icon| Java | ||
| - `indigo-java.zip <https://lifescience.opensource.epam.com/downloads/indigo-1.18.0/indigo-java.zip>`__ | ||
| * - |c-icon| .NET | ||
| - `indigo-dotnet.zip <https://lifescience.opensource.epam.com/downloads/indigo-1.18.0/indigo-dotnet.zip>`__ | ||
| * - |n-icon| Native Libraries in one archive | ||
| - `indigo-native-shared-libs.zip <https://lifescience.opensource.epam.com/downloads/indigo-1.18.0/indigo-native-shared-libs.zip>`__ | ||
|
|
||
|
|
||
| Platform/CPU Bindings | ||
| ~~~~~~~~~~~~~~~~~~~~~ | ||
|
|
||
| .. list-table:: | ||
| :header-rows: 1 | ||
| :stub-columns: 1 | ||
|
|
||
| * - | ||
| - |image0| Linux | ||
| - |image1| Windows | ||
| - |image2| Mac OS | ||
| * - |n-icon| Native Libraries x64 | ||
| - `indigo-libs-linux-x86_64.zip <https://lifescience.opensource.epam.com/downloads/indigo-1.18.0/indigo-libs-linux-x86_64.zip>`__ | ||
| - `indigo-libs-windows-x86_64.zip <https://lifescience.opensource.epam.com/downloads/indigo-1.18.0/indigo-libs-windows-x86_64.zip>`__ | ||
| - `indigo-libs-macos-x86_64.zip <https://lifescience.opensource.epam.com/downloads/indigo-1.18.0/indigo-libs-macos-x86_64.zip>`__ | ||
| * - | ||
| - | ||
| - `indigo-libs-windows-mingw-x86_64.zip <https://lifescience.opensource.epam.com/downloads/indigo-1.18.0/indigo-libs-windows-mingw-x86_64.zip>`__ | ||
| - | ||
| * - |n-icon| Native Libraries ARM64 | ||
| - `indigo-libs-linux-aarch64.zip <https://lifescience.opensource.epam.com/downloads/indigo-1.18.0/indigo-libs-linux-aarch64.zip>`__ | ||
| - \- | ||
| - `indigo-libs-macos-aarch64.zip <https://lifescience.opensource.epam.com/downloads/indigo-1.18.0/indigo-libs-macos-aarch64.zip>`__ | ||
| * - |n-icon| Native Libraries i386 | ||
| - \- | ||
| - `indigo-libs-windows-i386.zip <https://lifescience.opensource.epam.com/downloads/indigo-1.18.0/indigo-libs-windows-i386.zip>`__ | ||
| - \- | ||
| * - |n-icon| Utilities x64 | ||
| - `indigo-utils-linux-x86_64.zip <https://lifescience.opensource.epam.com/downloads/indigo-1.18.0/indigo-utils-linux-x86_64.zip>`__ | ||
| - `indigo-utils-windows-x86_64.zip <https://lifescience.opensource.epam.com/downloads/indigo-1.18.0/indigo-utils-windows-x86_64.zip>`__ | ||
| - `indigo-utils-macos-x86_64.zip <https://lifescience.opensource.epam.com/downloads/indigo-1.18.0/indigo-utils-macos-x86_64.zip>`__ | ||
|
|
||
| Source code | ||
| ~~~~~~~~~~~ | ||
|
|
||
| `Source code zip <https://github.com/epam/Indigo/archive/indigo-1.18.0.zip>`__ | ||
|
|
||
| `Repository on GitHub <https://github.com/epam/Indigo>`__ | ||
|
|
||
|
|
||
| NuGet Repository | ||
| ~~~~~~~~~~~~~~~~ | ||
|
|
||
| Indigo .NET packages available at `Nuget <https://www.nuget.org/packages/Indigo.Net/>`__ | ||
|
|
||
| Just add ``Indigo.Net`` as a dependency into the project. | ||
|
|
||
| PyPi package | ||
| ~~~~~~~~~~~~ | ||
|
|
||
| Indigo Python SDK can be found at `PyPi <https://pypi.org/project/epam.indigo/>`__ | ||
|
|
||
| One can install the Indigo library using *pip* utility | ||
|
|
||
|
|
||
| .. code-block:: xml | ||
| pip install epam.indigo | ||
| .. |image0| image:: ../../assets/Linux.png | ||
| .. |image1| image:: ../../assets/Windows.png | ||
| .. |image2| image:: ../../assets/AppleSZ.png | ||
| .. |image3| image:: ../../assets/globe.png | ||
| .. |p-icon| image:: ../../assets/indigo/python-icon.png | ||
| .. |j-icon| image:: ../../assets/indigo/java-icon.png | ||
| .. |c-icon| image:: ../../assets/indigo/csharp-icon.png | ||
| .. |n-icon| image:: ../../assets/indigo/native-icon.png | ||
| .. |w-icon| image:: ../../assets/indigo/wasm-icon.png |
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| Original file line number | Diff line number | Diff line change |
|---|---|---|
|
|
@@ -7,6 +7,7 @@ Contents: | |
| .. toctree:: | ||
| :maxdepth: 2 | ||
|
|
||
| indigo-1.18.0 | ||
| indigo-1.16.0 | ||
| indigo-1.14.0 | ||
| indigo-1.13.0 | ||
|
|
||
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,63 @@ | ||
| # Indigo 1.18.0 | ||
| Released 2024-02-29 | ||
|
|
||
| ## Features | ||
| * [#1412](https://github.com/epam/Indigo/issues/1412) Nucleotide splitting for V3000 molfile SCSR | ||
| * [#1450](https://github.com/epam/Indigo/issues/1450) No naturalAnalogShort in KET for basic aminoacids during conversion MOLV3000 -> KET | ||
| * [#1436](https://github.com/epam/Indigo/issues/1436) Expose Fold/Unfold hydrogens function in indigo API | ||
| * [#1440](https://github.com/epam/Indigo/issues/1440) Add support for query features in MOL, SDF and RXN formats (Marvin extension) | ||
| * [#1426](https://github.com/epam/Indigo/issues/1426) Import sequence format for RNA, DNA and PEPTIDES | ||
| * [#1589](https://github.com/epam/Indigo/issues/1589) Apply hydrogens folding/unfolding with respect to selected atoms | ||
| ## Bugs | ||
| * [#1307](https://github.com/epam/Indigo/issues/1307) Error in DevTool console about memory access out of bound when call 'ketcher.getRxn()' | ||
| * [#1431](https://github.com/epam/Indigo/issues/1431) Crash during parsing query mol-file | ||
| * [#1439](https://github.com/epam/Indigo/issues/1439) Indigo can't parse KET with R-Site as a leaving group | ||
| * [#1232](https://github.com/epam/Indigo/issues/1232) Multi-line reaction cause access violationg exception. | ||
| * [#1423](https://github.com/epam/Indigo/issues/1423) Common atoms loaded as aliphatic in SMARTS mode | ||
| * Update bug_report.md | ||
| * [#1458](https://github.com/epam/Indigo/issues/1458) Failed UT api\indigo_test.py:test_convert_smarts | ||
| * [#1460](https://github.com/epam/Indigo/issues/1460) ImplicitH set to zero casue error loading query molecule from ket | ||
| * [#1446](https://github.com/epam/Indigo/issues/1446) Dearomatization does not work with query features | ||
| * PostgreSQL 11 EOL support | ||
| * [#1465](https://github.com/epam/Indigo/issues/1465) Unable to load specific mol-file | ||
| * [#1484](https://github.com/epam/Indigo/issues/1484) Query molecule convert implicit/explicit hydrogens cause error | ||
| * [#1512](https://github.com/epam/Indigo/issues/1512) Broken string-formats support for wasm | ||
| * [#1452](https://github.com/epam/Indigo/issues/1452) Convert from implicit hydrogens change layout | ||
| * [#1463](https://github.com/epam/Indigo/issues/1463) Macro: Some molecules are not perfect on preview tooltip | ||
| * [#1524](https://github.com/epam/Indigo/issues/1524) Dearomatizing doesn't work for molecula with custom query fetures | ||
| * [#1568](https://github.com/epam/Indigo/issues/1568) Wrong molecule nodes enumeration in KET-file | ||
| * [#1476](https://github.com/epam/Indigo/issues/1476) Aromatization/Dearomatization wipes out SOME Ring bond count values | ||
| * [#1478](https://github.com/epam/Indigo/issues/1478) Dearomatization causes exception in case of Implicit H count query feature set to 4 (i.e. more than 2) | ||
| * [#1525](https://github.com/epam/Indigo/issues/1525) System attach two explicit hydrogens to aromatized ring | ||
| * [#1573](https://github.com/epam/Indigo/issues/1573) Add/Remove explicit hydrogens can't be applied to fullerene C60 - system throws exception | ||
| * [#1567](https://github.com/epam/Indigo/issues/1567) System can't copy atom with custom query feature to clipboard | ||
| * [#1534](https://github.com/epam/Indigo/issues/1534) Presence of stand alone H2 molecule on the canvas breaks Add explicit hydrogens feature (it stops working) | ||
| * [#1468](https://github.com/epam/Indigo/issues/1468) Valence lost on loading molfile with MRV extension. | ||
| * [#1472](https://github.com/epam/Indigo/issues/1472) Dearomatization wipes out Aromaticity query property | ||
| * [#1504](https://github.com/epam/Indigo/issues/1504) Molfile MRV extension generated for "H count" | ||
| * [#1500](https://github.com/epam/Indigo/issues/1500) Atom Query feature export: System replace "Ring membership" values with "Ring Bond Count" ones for value 0 - export to SDF V2000 file | ||
| * [#1564](https://github.com/epam/Indigo/issues/1564) Add/Remove explicit hydrogens wanishes "Chirality" value | ||
| * [#1598](https://github.com/epam/Indigo/issues/1598) Macro: V3000 export: leaving groups are displayed as side chain connections for standard presets added to canvas | ||
| * [#1533](https://github.com/epam/Indigo/issues/1533) System attach two explicit hydrogens to atoms connected to "any type" bonds | ||
| * [#1608](https://github.com/epam/Indigo/issues/1608) convert_explicit_hydrogens response doesn't comply with the ket schema | ||
| * [#1538](https://github.com/epam/Indigo/issues/1538) Add/Remove explicit hydrogens feature doesn't work if atom with problem valence present on canvas (crash happens) | ||
| * [#1614](https://github.com/epam/Indigo/issues/1614) Adding hydrogens doesn't work for bonds with No center value of Reacting Center | ||
| * [#1550](https://github.com/epam/Indigo/issues/1550) Add/Remove explicit hydrogens feature doesn't work for "Any Atom" molecule with valence value set | ||
| * [#1593](https://github.com/epam/Indigo/issues/1593) Macro: V3000 import: removed 5' phosphate is displayed in Ketcher | ||
| * [#1483](https://github.com/epam/Indigo/issues/1483) Unable to past empty reaction (arrow only) from clipboard to canvas | ||
| * [#1607](https://github.com/epam/Indigo/issues/1607) Unable to load large base64 CDX content to canvas if remote indigo used` | ||
| * [#1536](https://github.com/epam/Indigo/issues/1536) Add/Remove explicit hydrogens feature doesn't work for reactions on canvas (crash happens) | ||
| * [#1652](https://github.com/epam/Indigo/issues/1652) Unfold hydrogens does not select added bonds | ||
| * [#1640](https://github.com/epam/Indigo/issues/1640) System adds hydrogens for only one atom among many selected by | ||
| * [#1634](https://github.com/epam/Indigo/issues/1634) Add/Remove hydrogens doesn't work for atoms with Radical=Triplete if atom with query feature present on the canvas | ||
| * [#1629](https://github.com/epam/Indigo/issues/1629) Add/Rmove hydrogens process should count R-Group attachment point as hydrogen | ||
| * [#1695](https://github.com/epam/Indigo/issues/1695) CDX loader failed if object with zero id follow by reaction | ||
| * [#1697](https://github.com/epam/Indigo/issues/1697) CDX loader crashed on some files with abbreviations by | ||
| * [#1684](https://github.com/epam/Indigo/issues/1684) System put on the canvas two arrows (one above other) per each arrow on target CDX | ||
| * [#1724](https://github.com/epam/Indigo/issues/1724) Fold hydrogen in reaction with selection works wrong by | ||
| * [#1730](https://github.com/epam/Indigo/issues/1730) UT cano/permutations is too slow by | ||
| * [#1576](https://github.com/epam/Indigo/issues/1576) Bad molecule layout after adding hydrogens (Chlorophyll A) | ||
| * [#1685](https://github.com/epam/Indigo/issues/1685) System shows attached abbreviation group in wrong position | ||
|
|
||
| **Full Changelog**: https://github.com/epam/Indigo/compare/indigo-1.16.0...indigo-1.18.0 | ||
|
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters