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Switch to BioStructures for PDB/structure rep #26

Merged
merged 2 commits into from
Aug 22, 2024
Merged

Switch to BioStructures for PDB/structure rep #26

merged 2 commits into from
Aug 22, 2024

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timholy
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@timholy timholy commented Aug 21, 2024

BioStructures is poised to become the standard package for protein
structure I/O and representation. MIToS is retained for the MSA code
and a few extremely useful data tables (vanderwaals radii and
atom-level amino acid traits), but otherwise this is a complete switch. It's
somewhat surprising how few changes were needed to the tests (some of
which were essentially cleanups that could have happened earlier).

CC @jgreener64. @diegozea if you decide on a more thorough switch of MIToS internals some day, perhaps some of the changes here will be illustrative.

BioStructures is poised to become the standard package for protein
structure I/O and representation. While MIToS is retained for the MSA
functionality and a few very useful data tables (vanderwaals radii and
atom-level amino acid traits), otherwise this is a complete switch. It's
somewhat surprising how few changes were needed to the tests (some of
which were essentially cleanups that could have happened earlier).
@timholy timholy merged commit 3ec1b69 into main Aug 22, 2024
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@timholy timholy deleted the teh/bs branch August 22, 2024 11:51
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