Ensure Fragalysis protein uploads don't contain hydrogen atoms

choderalab / fah-xchem

Tools and infrastructure for automated compound discovery using Folding@home

MIT License

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Ensure Fragalysis protein uploads don't contain hydrogen atoms #127

Open glass-w opened 3 years ago

glass-w commented 3 years ago

Fragalysis currently lacks the ability to toggle hydroen atoms on / off. In order to see protein - ligand interactions easily we should upload protein snapshots without hydrogens.

jchodera commented 3 years ago

This was fixed in #121 in d3e3a88