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Added check for coordinates - related to issue #1350#1497

Merged
amjjbonvin merged 1 commit intoCG-HADDOCKfrom
cgtoaa-checkcoord
Apr 5, 2026
Merged

Added check for coordinates - related to issue #1350#1497
amjjbonvin merged 1 commit intoCG-HADDOCKfrom
cgtoaa-checkcoord

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Checklist

  • Tests added for the new code
  • Documentation added for the code changes
  • Modifications / enhancements are reflected on the haddock3 user-manual
  • CHANGELOG.md is updated to incorporate new changes
  • Does not break licensing
  • Does not add any dependencies, if it does please add a thorough explanation

Summary of the Pull Request

Added check for coordinates validity before writing the final PDB file (as done in other modules).
Avoids in that way pdb files with ********** in their coordinates that cause subsequent modules to fail.

Related Issue

#1350

@amjjbonvin amjjbonvin requested review from VGPReys and rversin April 2, 2026 11:45
@amjjbonvin amjjbonvin added this to CG Apr 2, 2026
@amjjbonvin amjjbonvin merged commit 4510558 into CG-HADDOCK Apr 5, 2026
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@amjjbonvin amjjbonvin deleted the cgtoaa-checkcoord branch April 5, 2026 15:41
@github-project-automation github-project-automation bot moved this to Done in CG Apr 5, 2026
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