High-performance 3D molecular visualization engine in Rust (wgpu, egui, PDB/CIF support, VR ready)

Map the depth on a PDB file

A script to obtain a difference distance matrix.

The scope of this module is downloading or reading PDB-Files and subsequently parsing them

The code adds functional groups to graphene surfaces

Open-source framework for simple and fast integration of protein structure data with sequence annotations and genetic variation

A small, developer-friendly 3D molecule viewer for the modern web

A command line tool for renumbering protein sequence in PDB/PDBQT molecular models.

python scripts that can be easily trasformed to gui programs for wet lab scientists to use

Publication-ready molecular artwork from PDB structures — Goodsell-style renderer with desktop GUI, Python API, and web frontend

Generation and visualization of 3d protein sequences

A Python-based parser and analysis tool for Protein Data Bank (PDB) files. The project aims to facilitate the manipulation of PDB files, enabling users to extract and compute various structural properties of proteins, such as counting amino acid residues and calculating distances between atoms.

Claude Code skill for interactive Python debugging (pdb) via tmux

A lightweight C++ command-line tool to convert SMILES strings to PDB files with conformer generation using RDKit

Rubik's cube solver using PDB, developed in C++.

A metabuild / build.rs compatible crate to embed .natvis debug visualizer files into your executable's .pdbs, for ease of debugging.

Scripts and guide on how to install and create an Oracle 19c database for testing purposes on a RHEL8

Structify is a lightweight and efficient tool for converting chemical structure file formats. Structify simplifies the process of converting between formats commonly used in computational chemistry and molecular docking workflows.

My config for pdb++

This takes a PDB (Protein Data Bank) filename as an argument and produces two CSV files from it: The first, center.csv, calculates the carbon/nitrogen/calcium pseudocenter for each residue in the given PDB. The second, cadist.csv, calculates the distance between calcium atoms in neighboring residues.