epam / ketcher

Web-based molecule sketcher
https://lifescience.opensource.epam.com/ketcher/demo.html
Apache License 2.0
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Macro: Send monomer library from Ketcher to Indigo upon monomers import/export #4311

Closed rrodionov91 closed 4 months ago

rrodionov91 commented 6 months ago

Background It needs to send monomer library with idt aliases to indigo during import/export of monomers to match monomers/presets from Ketcher library to (mol v3000, sequence, fasta, idt) library.

Solution It needs to add additional field to import/export request parameters which will contain all monomers library from Ketcher. Library should be sent entirely, in ket format, with each import/export request. The name of field to send to indigo is monomerLibrary in payload root. Changes should affect only those import/export that contain macromolecules. Other formats should not be changed.

vanoprenko commented 6 months ago

This should be implemented for all formats supporting macromolecules, not only IDT.

ilya-asiyuk-epam commented 5 months ago

Development on Ketcher side is on pause. Not implemented on Indigo side. Indigo should allow adding 'monomerLibrary' to 'options'

ml2
AlexeyGirin commented 5 months ago

No test cases needed for that particular issue

AlexeyGirin commented 4 months ago

Verified.