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CA-2-HCOMB is a tool for simplifying single-chain protein structures from PDB files into manageable models like various honeycombs, retaining essential information for in-depth computations. It's efficient for large datasets and machine learning, and user-friendly for research and education.
Lattice2Backbone is a software tool that converts lattice representations of protein structures into detailed, carbon alpha-only backbone structures, bridging the gap between simplified models and comprehensive biological analysis in structural biology and bioinformatics.
A Python Framework for Integrating Classical and Quantum Mechanical Simulation Data, Experimental Data, and Cheminformatics into a Unified Predictive Engine for Macromolecular Design
Program to plot a Ramachandran plot of all dihedral angles from a given PDB file. Background is empirically generated from the peptides in the Top8000 PDB data set.