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Fix parseMMCIF and fetchPDB to get CIF files - #2126

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jamesmkrieger wants to merge 9 commits into
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jamesmkrieger:fix_fetchPDB_cif
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Fix parseMMCIF and fetchPDB to get CIF files #2126
jamesmkrieger wants to merge 9 commits into
prody:main from
jamesmkrieger:fix_fetchPDB_cif

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@jamesmkrieger

@jamesmkrieger jamesmkrieger commented May 8, 2025

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Bug 1: parseMMCIF was taking .pdb files if they were found. This is solved by adding the format to the second run of findPDBFiles in fetchPDB.

Bug 2: non-pdb files couldn't be retrieved from the PDBe as the extension replacement wasn't being done. This is fixed by making the replacement from .ent as well as .pdb

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probably we need more tests for this

jamesmkrieger marked this pull request as draft May 8, 2025 13:53
jamesmkrieger marked this pull request as ready for review August 20, 2025 10:03

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This won't fix the pfam gzip error, but it will at least make things slightly less cryptic

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@anupam-banerjee Does any of this conflict with your PR #2165 ?

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It shouldn't do because it barely touches the actually parsing functions and it's a different one that is touched

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@anupam-banerjee anupam-banerjee Awaiting requested review from anupam-banerjee
@karolamik13 karolamik13 Awaiting requested review from karolamik13

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