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kate-fie / syndirella

Generates and scores synthetically practical elaborations from fragment screens
https://syndirella.readthedocs.io/en/latest/
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Add apo structures of each base compound to place within each folder #10

Closed kate-fie closed 7 months ago

kate-fie commented 7 months ago

Since placing with base compound apo structure need to make sure that is associated with each base compound folder.

kate-fie commented 7 months ago

This is not needed since the ref_pdb is a column for each base compound. Also a single reference template was used for A71EV2A.