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base repository: liedllab/surface_analyses
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head repository: liedllab/surface_analyses
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compare: patch-1
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  • 3 commits
  • 2 files changed
  • 2 contributors

Commits on Mar 17, 2025

  1. Update commandline_electrostatic.py to include printing electrostatic… 

    … patches to text and PDB file

NOTE this uses the residue numbering from the PDB file!
    @sgrannem
    sgrannem authored Mar 17, 2025
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Commits on Apr 16, 2025

  1. Update tests for new functionality 

    * also fixes a bug where non-patch area was assigned as a negative patch
* restores the printing of integrals
    Franz Waibl committed Apr 16, 2025
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Commits on Apr 17, 2025

  1. Some refactoring, rename --n_patches to --max_n_patches for clarity 

    * also deprecates negative numbers for --max_n_patches
* moves patch renumbering into a separate function
    Franz Waibl committed Apr 17, 2025
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