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Implementation of Water Bridge Interaction Calculation #225

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Adds water-mediated interactions to Prolif

Changes made:

  • Addition of run_bridged_analysis to calculate water-mediated interactions

talagayev and others added 4 commits November 10, 2024 17:17
addition of run_bridged_analysis
adjusted to have the metadata under the WaterBridge key with addition of _ligand_water and _water_protein additions
added suggested adjustments
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