Working with molecular structures in pandas DataFrames

A comprehensive library for computational molecular biology

An open library for the analysis of molecular dynamics trajectories

Benchmarking common tasks on proteins in various languages and packages

A WinDbg symbol server for all recent versions of CPython.

A script able to extract ligands from pdb structure(s) and remove them from the original structure. The ligands are identified according to the *valid* ligands found in the binding MOAD database. The ligand can be extracted as a pdb or as a xyz (coordinate) file. Other options such as converting the queried pdb to pqr are available .

A Python script to map PDB ID + chain ID to UniProt ID.

Python code to automatically interact with PDBePISA web server

collect statistics from the entire PDB library

PDB file parser and prepare tools.

Convert in batch CIF files to PDB

Search for new PDB structures corresponding to a search term and deposited after a certain date.

Antimicrobial activity prediction for fungal effector candidates

Small library for conversion of pdb files into numpy grids

Programming project (Python) - Implementation of the DSSP method (Secondary Structure Assignment)

This Python script for Ghidra will export a table of function names and corresponding ordinals of a DLL, when other tools fail to do so

A script to generate a tripeptide database. At present, the amino acids of tripeptides produced are not complete

基于modeller官网脚本进行开发的序列比对脚本

Convert EOM output to a full atom PDB files

[Python] Structural bioinformatics analysis of the human frataxin protein involved in Friedreich's Ataxia (FRDA).