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Come up for routines for cleaning up database following API runs...
#149
opened Nov 10, 2021 by
TJGorrie
Come up with elegant way of linking multiple compounds to a crystal and ligands to multisoaks
#145
opened Aug 24, 2021 by
TJGorrie
Come up with a clever way to ensure that input smiles png is rendered?
#144
opened Aug 24, 2021 by
TJGorrie
Determine crystal form and conformations in the pipeline?
enhancement
New feature or request
#140
opened Jul 20, 2021 by
TJGorrie
Users need to be able to specify whether or not PISA gets applied to pdb file
#139
opened Jul 13, 2021 by
TJGorrie
Handle log files that cannot be deleted due to permissions issues
#138
opened Jun 30, 2021 by
TJGorrie
Find a new way to obtain visit information from now-not-symbolic link pdb files due to changes.
#137
opened Jun 29, 2021 by
TJGorrie
Import Fragalysis-api and use api functionality instead of calling scripts.
#136
opened Jun 29, 2021 by
TJGorrie
Add functionality to create metadata file for fragalysis (or parse metadata from API)
#121
opened Jul 17, 2020 by
reskyner
Add new models to XCDB referencing/recording data needed for fragalysis and XCR
#117
opened Jul 17, 2020 by
reskyner
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