Skip to content

Repository files navigation

AutoDoge

Author: xywu@PKUHSC (wuxingyu@bjmu.edu.cn)

Version: 0.12 (7/12/2016)

Written in Python 2.7.12 (Anaconda)

Description: Generate virtual screening report from large set of autodock4 docking results and extract best-binding conformations for best-binding or best-clustering cluster.

Operating systems: Windows / Linux

Update:

Version 0.11: Argparser

Version 0.12: Abandoned Argparser, implemented Tkinter GUI

Note:

This is a passion project that I have written in 2015-16, at that time I was still learning Python and programming in general, so in retrospect there are a lot of design flaws and beginner mistakes in the code. As a data-driven person, I would consider this to be easier to use than Scripps' Fox (http://autodock.scripps.edu/resources/fox).

About

AutoDock4 output post process script

Resources

Stars

1 star

Watchers

0 watching

Forks

Releases

Packages

Contributors

Languages