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Ensemble Bioinformatic Toolkit

This is a collection of scripts for use with multiconformer or ensemble-based structural models. This contains scripts related to Seo et al 2025.

NOTE: DOCUMENTATION RELATED TO THESE SCRIPTS IS STILL IN PROGRESS.

The directory is partitioned into three portions:

  1. Individual Metrics: These are scripts applied to get information from PDBs, such as hydrogen bonds, SASA, close residues, etc.
  2. Multiconformer Tools: These are scripts to identify patterns across PDBs.

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This is a collection of scripts that can be used on multiconformer or ensemble based structural models.

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