{ "info": { "author": "Karr Lab", "author_email": "info@karrlab.org", "bugtrack_url": null, "classifiers": [ "Development Status :: 3 - Alpha", "Intended Audience :: Science/Research", "License :: OSI Approved :: MIT License", "Programming Language :: Python", "Programming Language :: Python :: 3", "Programming Language :: Python :: 3.6", "Topic :: Scientific/Engineering :: Bio-Informatics" ], "description": "|PyPI package| |Documentation| |Test results| |Test coverage| |Code\nanalysis| |License| |Analytics|\n\nWhole-cell modeling utilities\n=============================\n\nThis package contains utilities that are useful to multiple whole-cell\n(WC) software components.\n\nInstallation\n------------\n\n1. Install the third-party dependencies listed below. Detailed\n installation instructions are available in `An Introduction to\n Whole-Cell\n Modeling `__.\n\n - `ChemAxon Marvin `__:\n optional to calculate major protonation states\n - `Java `__ >= 1.8\n - `Git `__\n - `OpenBabel `__: optional to calculate\n chemical formulae\n - `Pip `__ >= 18.0\n - `Python `__ >= 3.6\n\n2. To use Marvin to calculate major protonation states, set\n ``JAVA_HOME`` to the path to your Java virtual machine (JVM)\n ``export JAVA_HOME=/usr/lib/jvm/default-java``\n\n3. To use Marvin to calculate major protonation states, add Marvin to\n the Java class path\n ``export CLASSPATH=$CLASSPATH:/opt/chemaxon/marvinsuite/lib/MarvinBeans.jar``\n\n4. 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