Toolbox for molecular animations in Blender, powered by Geometry Nodes.
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Updated
Jul 16, 2024 - Python
Toolbox for molecular animations in Blender, powered by Geometry Nodes.
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.
A Python API for the RCSB Protein Data Bank (PDB)
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.
Versatile computational pipeline for processing protein structure data for deep learning applications.
Methods for the parallel and distributed analysis and mining of the Protein Data Bank using MMTF and Apache Spark.
Deep functional residue identification
A Python Framework for Integrating Classical and Quantum Mechanical Simulation Data, Experimental Data, and Cheminformatics into a Unified Predictive Engine for Macromolecular Design
BPL is an Python app to solve Loop Closure Problems.
A script that computationally designs a vaccine
local PDB manager
Object-oriented processing of PDB files in Python
Some miscellaneous scripts I made to do protein analysis using the pytraj library
A collection of useful tutorials for Protein Science
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