mmcif 开源项目推荐（63 个）

BradyAJohnston /MolecularNodes

由几何节点提供支持的Blender中的分子动画格式。

rdk /p2rank

P2Rank：基于机器学习从蛋白质结构预测蛋白-配体结合位点。

project-gemmi /gemmi

大分子晶体学库和实用工具

PDBeurope /arpeggio

Calculation of interatomic interactions in molecular structures

PDBeurope /ccdutils

A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dictionary, uses RDKit

douweschulte /pdbtbx

A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.

PDBeurope /pdb-images

Generates images from mmCIF/BCIF files

PDB-REDO /libcifpp

Library containing code to manipulate mmCIF and PDB files

jgreener64 /pdb-benchmarks

Benchmarking common tasks on proteins in various languages and packages

PDBeurope /pdbecif

A lightweight pure python package for reading, writing and manipulating mmCIF files distributed by the wwPDB"

ihmwg /IHMCIF

📖 mmCIF support for hybrid/integrative models

MooersLab /jupyterlabpymolpysnips

Python snippets for PyMOL to be run in Jupyterlab via the jupyterlab-snippets-multimenus extension.

HFooladi /pdbrust

A Rust library for parsing PDB (Protein Data Bank) files

cusbg /AHoJ-project

👋 Webserver & command-line tool for search of APO (unbound) protein structures from HOLO (bound) forms and vice versa. http://apoholo.cz

refresh-bio /protestar

Protein Structure Archiver

URV-cheminformatics /PDB-CAT

PDB-CAT aims to automatically categorize the mmCIF PDB structures based on the type of interaction between atoms in the protein and the ligand, and checking for any mutations in the sequence.

Joseph-Ellaway /Ramachandran_Plotter

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.

PDBeurope /mmcif-validator

Real-time VSCode extension and standalone Python script for validating mmCIF/CIF files against the PDBx/mmCIF dictionary or any CIF dictionary.

Ruibin-Liu /MolDF

Super lightweight and fast mmCIF/PDB/MOL2 file parser into Pandas DataFrames and backwards writer.

biomadeira /BioDownloader

📦 A Command Line Tool for downloading protein structures, sequences and MSAs