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conda-forge/acpype

acpype

Community

Generates topologies for chemical compounds

Copied fromcf-staging / acpype

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::acpype

Usage Tracking

2023.10.27
2022.7.21
2022.6.6
2022.1.3
2021.12.24
5 / 8 versions selected
Downloads (Last 6 months): 0

Description

A tool based in Python to use Antechamber to generate topologies for chemical compounds and to interface with other python applications like CCPN or ARIA.

About

Summary

Generates topologies for chemical compounds

Last Updated

Oct 27, 2023 at 14:39

License

GPL-3.0-or-later

Total Downloads

100.9K

Supported Platforms

noarch

Home

https://github.com/alanwilter/acpype

GitHub Repository

https://github.com/alanwilter/acpype

Documentation

https://github.com/alanwilter/acpype