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HELMBucket: Bugs related to Export to HELM formatBucket: Bugs related to Export to HELM formatTest Cases WrittenTest cases has been written for that issueTest cases has been written for that issueepic: macromolecules
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Background
Indigo macromolecules support
Solution
Import and export of multiple RNA, PEPRIDE, CHEM in one string. Support connection tables.
Tests should include corresponding KET<>HELM<>MOL conversions.
HELM notation could be found here: https://www.pistoiaalliance.org/helm-notation/
Reference: HELM Specification 2_04-1.pdf
Decided to support only features that implemented in Ketcher already
That is
- 5.2 Simple Polymer section
Implementation of two types of specific simple polymers: PEPTIDE, and RNA
Implementation of non-specific simple polymer type: CHEM
Implementation of unknown polymer type: BLOB
Implementation of simple polymer notation (i.e. chains consists of polymers of supported types)
Out of scope:
Monomer Lists (pp. 5.2.4.1 should not be implemented)
Monomer repeating units (pp. 5.2.4.2 should not be implemented)
Monomer annotation (pp. 5.2.5 should not be implemented) - 5.3 Complex Polymer
Implementation of list of connection between backbone chains
Out of scope:
Unknown positions
Hydrogen pairings (pp. 5.2.5 should not be implemented) - 5.6 In-line HELM notation
Implementation of SMILES and Extended SMILES formats support
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HELMBucket: Bugs related to Export to HELM formatBucket: Bugs related to Export to HELM formatTest Cases WrittenTest cases has been written for that issueTest cases has been written for that issueepic: macromolecules
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Done