SDF of combined LHS hits in download does not conform to SDF spec

m2ms / fragalysis-frontend

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SDF of combined LHS hits in download does not conform to SDF spec #1555

Open mwinokan opened 4 weeks ago

mwinokan commented 4 weeks ago

@kaliif, it was pointed out to me that the SDF of the combined hits in the download (e.g. A71EV2A_combined.sdf) no longer conforms to the SDF spec and causes issues when parsing with rdkit for example. It's missing the $$$$ lines between molecules. Can you please take a look at this?

phraenquex commented 3 weeks ago

@mwinokan to test once clusters are back.

mwinokan commented 3 weeks ago

Merged and confirmed working in staging