epam / Indigo

Universal cheminformatics toolkit, utilities and database search tools
http://lifescience.opensource.epam.com
Apache License 2.0
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In-line SMILES is not supported #2061

Closed AlexeyGirin closed 3 months ago

AlexeyGirin commented 3 months ago

NOTE: Export works fine.

Steps to Reproduce

  1. Go to Macromolecules mode - Flex mode
  2. Load using paste from clipboard IDT type: PEPTIDE1{G.[[*:1]N[C@@H](C=O)C([*:2])=O].C}$$$$ image

Actual behavior System throws exception: Convert error! Given string could not be loaded as (query or plain) molecule or reaction, see the error messages: 'SEQUENCE loader: Inline smiles not supported for now.' image

Expected behavior System loads polymer chain w/out errors image

Versions

Issue found while testing - https://github.com/epam/Indigo/issues/1188

AlexeyGirin commented 3 months ago

Will be implemented in the context of HELM 2.0