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BinaryCIF Import Implementation #353

Merged
merged 18 commits into from
Jun 5, 2024
Merged

BinaryCIF Import Implementation #353

merged 18 commits into from
Jun 5, 2024

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JarrettSJohnson
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@JarrettSJohnson JarrettSJohnson commented Mar 31, 2024

Announced via RSCB news.
"
From July 2024 the PDB file archive will not be offered in the compressed MMTF format anymore. Users are strongly encouraged to switch to the BinaryCIF format, which has been available since 2020. Details on how to access BinaryCIF (BCIF) data files for the entire PDB archive are available here.
"

Implementation of Reading BinaryCIF #329

Able to fetch various models from the pdb via fetch XXX, type=bcif

Tests:

@JarrettSJohnson JarrettSJohnson self-assigned this Mar 31, 2024
@JarrettSJohnson JarrettSJohnson requested a review from TstewDev May 20, 2024 21:55
@JarrettSJohnson JarrettSJohnson marked this pull request as ready for review May 20, 2024 21:55
@JarrettSJohnson JarrettSJohnson changed the title BinaryCIF Import Implementation (WIP) BinaryCIF Import Implementation May 20, 2024
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Looks good to me! Mostly just updating syntax and moving things around. Only thing is potential checking that other structural information is loaded in properly (model, chain, etc.).

@test_utils.requires_version("3.0")
def test_bcif():
cmd.load(test_utils.datafile("115d.bcif.gz"))
assert cmd.count_atoms() == 407
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Are there any other properties worth checking? Seems sufficient for just ensuring the structure is loaded in.

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Added tests with cif_get_array

@JarrettSJohnson JarrettSJohnson merged commit 6731589 into master Jun 5, 2024
7 of 8 checks passed
@JarrettSJohnson JarrettSJohnson deleted the BCIF branch June 13, 2024 21:31
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2 participants