AMDock | AMDock : Assisted molecular docking

by Valdes-Tresanco-MS Python Version: 1.6.2 License: GPL-3.0

X-Ray Key Features Code Snippets(1)Community Discussions Vulnerabilities Install Support

kandi X-RAY | AMDock Summary

AMDock is a Python library. AMDock has no bugs, it has no vulnerabilities, it has build file available, it has a Strong Copyleft License and it has low support. You can install using 'pip install AMDock' or download it from GitHub, PyPI.

AMDock (Assisted Molecular Docking) is a user-friendly graphical tool to assist in the docking of protein-ligand complexes using Autodock-Vina or AutoDock4. This tool integrates several external programs for processing docking input files, define the search space (box) and perform docking under user’s supervision. Version 1.6.x for Linux (Build 1.6.1-beta). Manual, tutorials and test files are located in Doc folder. (May be out of date. Please check the wiki). Valdes-Tresanco, M.S., Valdes-Tresanco, M.E., Valiente, P.A. and Moreno E. AMDock: a versatile graphical tool for assisting molecular docking with Autodock Vina and Autodock4. Biol Direct 15, 12 (2020). Installation can be carried out in two ways. Note: macOS users can use this procedure, however, PyMOL must be compiled using this environment's Python interpreter, since there is no working version of PyMOL for mac in the anaconda repositories.

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Quality

Security

License

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Support

AMDock has a low active ecosystem.

It has 24 star(s) with 11 fork(s). There are 3 watchers for this library.

It had no major release in the last 12 months.

There are 0 open issues and 9 have been closed. On average issues are closed in 253 days. There are no pull requests.

It has a neutral sentiment in the developer community.

The latest version of AMDock is 1.6.2

Quality

AMDock has no bugs reported.

Security

AMDock has no vulnerabilities reported, and its dependent libraries have no vulnerabilities reported.

License

AMDock is licensed under the GPL-3.0 License. This license is Strong Copyleft.

Strong Copyleft licenses enforce sharing, and you can use them when creating open source projects.

Reuse

AMDock releases are available to install and integrate.

Deployable package is available in PyPI.

Build file is available. You can build the component from source.

Installation instructions are not available. Examples and code snippets are available.

Top functions reviewed by kandi - BETA

kandi has reviewed AMDock and discovered the below as its top functions. This is intended to give you an instant insight into AMDock implemented functionality, and help decide if they suit your requirements.

Start docking program
Start the process
Inserts a function
Set values from k
Prepare signal handler
Check if the correct prot2
Performs autodockcheck on protons
Display a message box for automatic ADN
Returns a dict of cmdclass based on cmdclass
Extract version information from VCS
Create the versioneer config file
Action for grid actions
Create a queue for scoring
Load protein representation
Get version information from the VCS
Write result to pdb file
Show results in pymol
Read the output of the process
Align the input files
Read the Cmd output
Scans the setup py file
Write the configuration file
Check section
Display the completion for a finished completion
Set the state of worstpoint
Setup the binding site
Load project file

Get all kandi verified functions for this library.

AMDock Key Features

No Key Features are available at this moment for AMDock.

AMDock Examples and Code Snippets

AMDock:

Python

Lines of Code : 9

License : Strong Copyleft (GPL-3.0)

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conda create --name AMDock
conda activate AMDock

conda install -c conda-forge pymol-open-source openbabel pdb2pqr

python -m pip install git+https://github.com/Valdes-Tresanco-MS/AutoDockTools_py3
python -m pip install AMDock

python3 -m pip install

Community Discussions

No Community Discussions are available at this moment for AMDock.Refer to stack overflow page for discussions.

Community Discussions, Code Snippets contain sources that include Stack Exchange Network

Vulnerabilities

No vulnerabilities reported

Install AMDock

You can install using 'pip install AMDock' or download it from GitHub, PyPI.
You can use AMDock like any standard Python library. You will need to make sure that you have a development environment consisting of a Python distribution including header files, a compiler, pip, and git installed. Make sure that your pip, setuptools, and wheel are up to date. When using pip it is generally recommended to install packages in a virtual environment to avoid changes to the system.