macromolecular crystallography library and utilities
-
Updated
Oct 11, 2024 - C++
macromolecular crystallography library and utilities
P2Rank: Protein-ligand binding site prediction tool based on machine learning. Stand-alone command line program / Java library for predicting ligand binding pockets from protein structure.
A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.
Library containing code to manipulate mmCIF and PDB files
Benchmarking common tasks on proteins in various languages and packages
Python snippets for PyMOL to be run in Jupyterlab via the jupyterlab-snippets-multimenus extension.
📖 mmCIF support for hybrid/integrative models
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.
👋 Webserver & command-line tool for search of APO (unbound) protein structures from HOLO (bound) forms and vice versa. http://apoholo.cz
Super lightweight and fast mmCIF/PDB/MOL2 file parser into Pandas DataFrames and backwards writer.
Fixes mmCIF protein structure files
A PDBx/mmCIF-format parser and extractor.
Supports the use of PyMOL in literate programming in org-mode, which is best run in Emacs.
A small, developer-friendly 3D molecule viewer for the modern web
Open-source framework for simple and fast integration of protein structure data with sequence annotations and genetic variation
Program to add sequences and data collection statistics to mmCIF files for PDB deposition
Add a description, image, and links to the mmcif topic page so that developers can more easily learn about it.
To associate your repository with the mmcif topic, visit your repo's landing page and select "manage topics."