{ "info": { "author": "Karr Lab", "author_email": "info@karrlab.org", "bugtrack_url": null, "classifiers": [ "Development Status :: 3 - Alpha", "License :: OSI Approved :: MIT License", "Natural Language :: English", "Operating System :: OS Independent", "Programming Language :: Python", "Programming Language :: Python :: 3", "Topic :: Scientific/Engineering :: Bio-Informatics" ], "description": "|PyPI package| |Documentation| |Test results| |Test coverage| |Code\nanalysis| |License| |Analytics|\n\n``BpForms``: toolkit for concretely describing non-canonical DNA, RNA, and proteins\n===================================================================================\n\n``BpForms`` is a set of tools for concretely representing the primary\nstructures of non-canonical forms of biopolymers, such as oxidized DNA,\nmethylated RNA, and acetylated proteins, and calculating properties of\nnon-canonical biopolymers.\n\n``BpForms`` encompasses five tools:\n\n- A grammar for concretely describing the primary structures of\n non-canonical biopolymers. See the\n `documentation `__ for more\n information. For example, the following text represents a modified\n DNA molecule that contains a deoxyinosine monomeric form at the\n fourth position.\n ``ACG[id: \"dI\" | structure: \"[H][C@]1(O)C[C@@]([H])(O[C@]1([H])CO)N1C=NC2=C1N=CN=C2O\"]T``\n\nThis concrete representation enables the ``BpForms`` software tools to\ncalculate properties of non-canonical biopolymers.\n\n- Tools for calculating properties of non-canonical biopolymers\n including their chemical formulae, molecular weights, charges, and\n major protonation and tautomerization states.\n- A web app: https://bpforms.org\n- A JSON REST API: https://bpforms.org/api\n- A command line interface. See the\n `documentation `__\n for more information.\n- A Python API. See the\n `documentation `__\n for more information.\n\n``BpForms`` was motivated by the need to concretely represent the\nbiochemistry of DNA modification, DNA repair, post-transcriptional\nprocessing, and post-translational processing in `whole-cell\ncomputational models `__. ``BpForms`` is also\na valuable tool for experimental proteomics and synthetic biology. In\nparticular, we developed ``BpForms`` because there were no notations,\nschemas, data models, or file formats for concretely representing\nnon-canonical forms of biopolymers, despite the existence of several\ndatabases and ontologies of DNA, RNA, and protein modifications, the\n`ProForma Proteoform\nNotation `__, and\nthe `MOMODICS `__ codes for modified RNA\nbases.\n\n*BpForms* can be combined with `*BcForms* `__\nto concretely describe the primary structure of complexes.\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 and tautomerization states\n - `Java `__ >= 1.8\n - `Open Babel `__\n - `Pip `__ >= 19.0\n - `Python `__ >= 3.6\n\n2. To use Marvin to calculate major protonation and tautomerization\n states, set ``JAVA_HOME`` to the path to your Java virtual machine\n (JVM) ``export JAVA_HOME=/usr/lib/jvm/default-java``\n\n3. To use Marvin to calculate major protonation and tautomerization\n states, add Marvin to the Java class path\n ``export CLASSPATH=$CLASSPATH:/opt/chemaxon/marvinsuite/lib/MarvinBeans.jar``\n\n4. Install this package\n\n - Install the latest release from PyPI: ``pip install bpforms``\n\n - Install the latest revision from GitHub:\n ``pip install git+https://github.com/KarrLab/wc_utils.git#egg=wc_utils[all] pip install git+https://github.com/KarrLab/bpforms.git#egg=bpforms``\n\n - To install the rest API, ``BpForms`` must be installed with the\n ``[all]`` option:\n ``pip install bpforms[all] pip install git+https://github.com/KarrLab/bpforms.git#egg=bpforms[all]``\n\nExamples, tutorial, and documentation\n-------------------------------------\n\nPlease see the `documentation `__. An\n`interactive\ntutorial `__\nis also available in the whole-cell modeling sandbox.\n\nLicense\n-------\n\nThe package is released under the `MIT license `__.\n\nCiting ``BpForms``\n------------------\n\nLang PF, Chebaro Y & Jonathan R. Karr. BpForms: a toolkit for concretely\ndescribing modified DNA, RNA and proteins. arXiv:1903.10042.\n`:link: `__\n\nDevelopment team\n----------------\n\nThis package was developed by the `Karr Lab `__\nat the Icahn School of Medicine at Mount Sinai in New York, USA.\n\n- `Jonathan Karr `__\n- `Yassmine\n Chebaro `__\n- `Paul Lang `__\n\nQuestions and comments\n----------------------\n\nPlease contact the `Karr Lab `__ with any\nquestions or comments.\n\n.. |PyPI package| image:: https://img.shields.io/pypi/v/bpforms.svg\n :target: https://pypi.python.org/pypi/bpforms\n.. |Documentation| image:: https://readthedocs.org/projects/bpforms/badge/?version=latest\n :target: https://docs.karrlab.org/bpforms\n.. |Test results| image:: https://circleci.com/gh/KarrLab/bpforms.svg?style=shield\n :target: https://circleci.com/gh/KarrLab/bpforms\n.. |Test coverage| image:: https://coveralls.io/repos/github/KarrLab/bpforms/badge.svg\n :target: https://coveralls.io/github/KarrLab/bpforms\n.. |Code 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