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Optional argument to reference Fragalysis-api endpoints and add input to set? #81

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TJGorrie opened this issue Jun 23, 2021 · 0 comments

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TJGorrie commented Jun 23, 2021

Steps:

When calling xcimporter user should be able to download what exists in Fragalysis referencing a specific Target
If specified, Fragalysis target will be downloaded then input data will be aligned to the target leaving site labels blank(?)
Expected output would include the contents of what is in Fragalysis (aligned/crystallographic) with input structures aligned to the existing bulk of data.
User can then upload the new set themselves?

TJGorrie added the enhancement label

TJGorrie self-assigned this

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