search

epam / ketcher

Web-based molecule sketcher
https://lifescience.opensource.epam.com/ketcher/demo.html
Apache License 2.0
442 stars 158 forks source link

Reactions are not opened in Daylight SMARTS format #1702

Open dariasviridova opened 1 year ago

dariasviridova commented 1 year ago

Steps to Reproduce

  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 The reaction information is written according to specification in 'Preview' tab. User is able to click 'Save' button and save file.

Actual behavior Error is appeared.

Screenshots

2022-08-26_16h10_47

Desktop:

Ketcher version Remote/Standalone 2.5.0.

porcelain11 commented 1 year ago

Daylight SMARTS format conversion is currently processed by server (through ServerFormatter), we getting error ("IndigoException: SMILES saver: SMARTS format availble for query only!") from server, when it's trying to convert the result string (got the same error on Postman, screenshot attached)

Screenshot 2022-09-02 at 17 13 21
porcelain11 commented 1 year ago

Checked on new api route https://apin.test.lifescience.opensource.epam.com - got same error

Zhirnoff commented 1 year ago

Indigo issue https://github.com/epam/Indigo/issues/840