macromolecular crystallography library and utilities
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Updated
May 25, 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
👋 Webserver & command-line tool for search of APO (unbound) protein structures from HOLO (bound) forms and vice versa. http://apoholo.cz
Fixes mmCIF protein structure files
Super lightweight and fast mmCIF/PDB/MOL2 file parser into Pandas DataFrames and backwards writer.
A PDBx/mmCIF-format parser and extractor.
Supports the use of PyMOL in literate programming in org-mode, which is best run in Emacs.
Program to add sequences and data collection statistics to mmCIF files for PDB deposition
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
Datatypes for the ribosome.
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