An open library for the analysis of molecular dynamics trajectories
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Updated
Aug 20, 2024 - Python
An open library for the analysis of molecular dynamics trajectories
Working with molecular structures in pandas DataFrames
A comprehensive library for computational molecular biology
Benchmarking common tasks on proteins in various languages and packages
collect statistics from the entire PDB library
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 .
Python code to automatically interact with PDBePISA web server
A Python script to map PDB ID + chain ID to UniProt ID.
This repository contains Python scripts to analyze MD & PELE simulations, to preprocess & process the system (pdb files), and many more.
3D vizualisation of pdb files with python
This script aims at reading a given PDB file and generation dihedral angles from it.
Search for new PDB structures corresponding to a search term and deposited after a certain date.
Antimicrobial activity prediction for fungal effector candidates
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
PPM.Mk.I.Beta
This script allows us to generate ORF for a given Protein Sequence.
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