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Add tests of PDB files from common software packages #47

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Yoshanuikabundi opened this issue Jan 29, 2025 · 0 comments
Open
5 tasks

Add tests of PDB files from common software packages #47

Yoshanuikabundi opened this issue Jan 29, 2025 · 0 comments
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tests New tests

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@Yoshanuikabundi
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Yoshanuikabundi commented Jan 29, 2025 •
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We should have tests for PDBs produced by common software packages. It's goood to test these, but not necessary to handle if they're spec-incompliant.

  • OpenMM
  • PyMOL
  • GROMACS
  • Desmond
  • Amber?
@Yoshanuikabundi Yoshanuikabundi mentioned this issue Jan 29, 2025
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@Yoshanuikabundi Yoshanuikabundi changed the title Add test of a PDB file from (good to test, but not necessary to handle if they're spec-incompliant) ... Add test of a PDB file from Jan 29, 2025
@Yoshanuikabundi Yoshanuikabundi changed the title Add test of a PDB file from Add tests of PDB files from common software packages Jan 29, 2025
@Yoshanuikabundi Yoshanuikabundi added the tests New tests label Feb 25, 2025
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