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epam / Indigo

Universal cheminformatics toolkit, utilities and database search tools
http://lifescience.opensource.epam.com
Apache License 2.0
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Reactions are not opened in Daylight SMARTS format #840

Open Zhirnoff opened 1 year ago

Zhirnoff commented 1 year ago

Steps to Reproduce

  1. Call API POST /v2/indigo/convert with Payload

How to reproduce in Ketcher

  1. Launch Ketcher in remote/standalone mode

  2. Add reaction to canvas (e.g. benzene+benzene->cyclopentane)

  3. Click on 'Save' button or Ctr+C

  4. Choose 'Daylight SMARTS' in 'File format' dropdown

Expected behavior JSON with format and structure fields

Actual behavior {"error":"IndigoException: SMILES saver: SMARTS format availble for query only!"} with Status Code: 400 BAD REQUEST

Attachments Ketcher issue #1702

Indigo/Bingo version
{"indigo_version":"1.7.4.0-g86f1ef175-x86_64-linux-gnu-11.2.1"}

evgeniiFrolov1 commented 1 year ago

the same for standalone