usegalaxy-eu / galaxy

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https://galaxyproject.org/
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Add Support for SDF File Format in NGL Plugin #230

Open wverastegui opened 5 months ago

wverastegui commented 5 months ago

Problem: Visualizing molecule structures directly from SDF format in NGL viewer would enhance convenience.

Specific Use Cases: The QCXMS tool, used for mass spectrometry prediction, processes SDF files to generate conformers. Directly visualizing from SDF files would simplify the workflow, particularly when dealing with multiple molecules.

Alternatives: Though converters exist to convert SDF files to PDB format, integrating direct SDF support in NGL plugin would avoid unnecessary conversions.