Updates to api/download_structures endpoint (issue 1326) #547
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
- apo_file, bound_file, sdf_info and smiles_info merged into all_aligned_structures - added pdb_info field NB! download_structures was requred to provide ligand_pdb as well. This wasn't tracked previously, so I added field to SiteObservation model. Meaning there's a migration and on stack deployment data needs to be wiped and reuploaded
alanbchristie
approved these changes
Mar 1, 2024
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
Backend changes:
apo_file,bound_file,sdf_infoandsmiles_infofields merged intoall_aligned_structurespdb_infofieldapo_solv,apo_desolvandligand_pdbalso added to downloadneighbourhoods.yamlif transformations not requestederrors.csv)NB! DB schema changed, includes new migration so requires wiping the stack and reuploading.