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Electrostatics / apbs-aws

APBS in an AWS environment
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bioinformatics biophysics chemistry

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Python package codecov [Documentation Status](https://apbs-aws.readthedocs.io/en/latest/?badge=latest

APBS-AWS

This package contains the software to automate the workflow of APBS and PDB2PQR using Amazon Web Services. For more information, please see

Setting up Development Environment

To setup a development environment, enter your Python3 environment of choice (e.g. virtualenv, conda, etc.). From the top of the repository in your terminal, enter the following:

pip install -e .[dev,test]

This will install all the necessary packages to develop and test the APBS-AWS software. Check setup.py to view the list of packages.