An open library for the analysis of molecular dynamics trajectories
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Updated
Jul 15, 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
PDBRipper is a utility for extract an information from PDB-files.
A bunch of parsers for PE and PDB formats in C++
macromolecular crystallography library and utilities
Standalone program to download PDB Symbol files for debugging without WDK
Small class to parse debug info from PEs, download their respective PDBs from the Microsoft Public Symbol Server and calculate RVAs of functions
A sample tool for users of Microsoft SQL Server to aid in troubleshooting otherwise difficult to diagnose issues. Provided AS-IS - see SUPPORT.md.
Library containing code to manipulate mmCIF and PDB files
Dump content of PDB files (program databases) in JSON, XML, SQLite3, CSV etc.
VSCode Extension for interactively visualising protein structure data in the editor
The 3DFI pipeline predicts the 3D structure of proteins and searches for structural homology in the 3D space.
Benchmarking common tasks on proteins in various languages and packages
pdb-mode is an emacs-lisp minor mode for Emacs to perform a number of useful editing functions on Protein DataBank (PDB) formatted files. XEmacs and/or GNU Emacs are available for most computing platforms.
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 .
Fast and cross-platform parser for Microsoft PDB files
Clickable PDB statistics: synchrotrons and MX software
Python code to automatically interact with PDBePISA web server
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