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Add support for phenix 1.21 #53

Merged
merged 22 commits into from
Jun 3, 2024
Merged

Add support for phenix 1.21 #53

merged 22 commits into from
Jun 3, 2024

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dennisbrookner
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The major change in this PR is that all matchmaps utilities now support phenix 1.21 as well as previous versions. Along the way, various other changes were made:

  • refactoring phenix-calling methods out of _utils.py into the new file _phenix_utils.py
  • Various other refactorings for efficiency and clarity
  • Output script includes the phenix version that was used. This is notable because the analogous matchmaps calls with phenix 1.20 or 1.21 seem to produce slightly different results.
  • The parameter --phenix-version allows the user to override the automatically detected phenix version from the environment. I don't know why one would need to do this, but it was easy to support.

@dennisbrookner dennisbrookner merged commit be8c2f2 into main Jun 3, 2024
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@dennisbrookner dennisbrookner deleted the phenix121 branch June 3, 2024 18:02
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