macromolecular crystallography library and utilities
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Updated
Aug 28, 2024 - C++
macromolecular crystallography library and utilities
Datatypes for the ribosome.
📖 mmCIF support for hybrid/integrative models
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.
Library containing code to manipulate mmCIF and PDB files
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.
A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.
👋 Webserver & command-line tool for search of APO (unbound) protein structures from HOLO (bound) forms and vice versa. http://apoholo.cz
Supports the use of PyMOL in literate programming in org-mode, which is best run in Emacs.
Python snippets for PyMOL to be run in Jupyterlab via the jupyterlab-snippets-multimenus extension.
Super lightweight and fast mmCIF/PDB/MOL2 file parser into Pandas DataFrames and backwards writer.
Encode information from a HADDOCK run to a cif file to be deposited in PDB-Dev.
Fixes mmCIF protein structure files
Program to add sequences and data collection statistics to mmCIF files for PDB deposition
Extract chains' and polypeptides' sequences from PDB or mmCIF files.
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