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