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Small patch fixes #195

Merged
merged 5 commits into from
May 3, 2022
Merged

Small patch fixes #195

merged 5 commits into from
May 3, 2022

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stephaniewankowicz
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@stephaniewankowicz stephaniewankowicz commented Apr 22, 2022

Pull Request Checklist

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    Exceptions will be made for urgent bugfixes.
  • Have you forked from dev?
    If not, please rebase your PR onto the most recent dev tip.
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Description of the Change

This pull requests make three small changes:

  1. only outputs multiconformer_model.pdb if --debug flag is on. This file is not needed and should not be used except for by developers.
  2. updates readme/help on qFit protein to not use -z electron as that is currently not workoing
  3. add normalize occupancy at beginning of post refine script to patch issue in qFit protein (not summing occupancies to one).

@stephaniewankowicz stephaniewankowicz marked this pull request as ready for review April 22, 2022 22:27
stephaniewankowicz added 5 commits May 2, 2022 17:16
This is no longer outputted on a regular basis and we do not need to read it in, as we can just use the output from _run_qfit_residue_parallel() to input into qfit_segment.
@blake-riley blake-riley force-pushed the small_patch_fixes branch from fe8e5b5 to ffcda3c Compare May 3, 2022 04:40
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dev changed in the meantime, so rebase & force-push was required to fix merge conflict

@blake-riley blake-riley merged commit 933b602 into dev May 3, 2022
@blake-riley blake-riley deleted the small_patch_fixes branch May 3, 2022 04:47
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2 participants