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1. LATCHED LATCHED Public

   This script checks the ring of a lasso peptide and checks if it is a lasso or tadpole. If it is a lasso, it checks if it right handed or left handed.

   Tcl 1

2. bash-amber-scripts bash-amber-scripts Public

   Here I will add bash scripts to use with Amber/cpptraj

   Shell

3. HLDA-WTMetaD-lasso HLDA-WTMetaD-lasso Public

   This repository has files for the Well-Tempered Metadynamics simulation of lasso peptides using HLDA CVs.

4. qt2pdb qt2pdb Public

   Converts PQBQT from Autodock Vina to PDB format

   Python

5. prob_dG prob_dG Public

   This repository has a Python script to calculate the total probability and deltaG between basins in the PMF

   Python