Dockey使用Python语言编写，具有友好的操作界面，能跨平台运行于Windows、Linux、MacOS系统上。Dockey支持使用AutoDock4、AutoDock Vina、QuickVina-W作为对接引擎，同时整合了OpenBabel、PyMOL、AutoDockTools、Meeko、RDKit、PLIP等工具，实现了分子对接的完整流程，包括分子数据清洗、受体与配体准备、批量对接、受体-配体相互作用分析、对接构象3D结构可视化等，为药物虚拟筛选提供简便、快捷、易操作的工具。Dockey能将数以万计的小分子自动对接到多个受体上，所有数据保存在一个后缀名为.dock的文件中，可在不同系统和不同电脑之间重复利用。
0.10.2
2023-11-24
Fixed ligand not be docked into grid box error
Fixed pymol error when using align to calculate RMSD
Fixed complex display error when opening new project
0.10.1
2023-11-11
Added setting icon to toolbar for open setting dialog
0.10.0
2023-11-10
Added drawing grid box centered on specified residue
Updated plip for detection of interactions
Fixed no running after generating tasks using new worker manager
Fixed settings dialog can not be opened on MacOS
Fixed crash error when deleting single molecule
0.9.4
2023-09-19
- Fixed propka required data error when using pdb2pqr
0.9.3
2023-09-18
- Fixed third-party package required data error
0.9.2
2023-09-15
- Fixed flags error caused by wayland on ubuntu 20.04
0.9.0
2023-09-15
- Added support for flexible docking
- Added support for Ubuntu >= 22.04
- Added downloading ligands from PubChem, ChEMBL
- Added receptor preprocessing using pdbfixer and pdb2pqr
- Optimized docking parameters settings
- Fixed parameter library file setting when using AutoDock4
- Fixed AutoDock Vina output pose format
0.8.4
2023-08-21
Fixed errors when downloading molecules from ZINC and PDB