{
    "info": {
        "author": "Shriyaa Mittal",
        "author_email": "mittalshriyaa@gmail.com",
        "bugtrack_url": null,
        "classifiers": [
            "Development Status :: 3 - Alpha",
            "Intended Audience :: Science/Research",
            "License :: OSI Approved :: Apache Software License",
            "Operating System :: MacOS",
            "Operating System :: Unix",
            "Programming Language :: Python",
            "Topic :: Scientific/Engineering",
            "Topic :: Scientific/Engineering :: Information Analysis"
        ],
        "description": "Optimal Probes\n===============\n\nOptimal Probes is a software package to predict the best spectroscopic experiment choices based on molecular dynamics simulation datasets.\n\nOur design methodology is based on the following two criteria: (1) An ideal set of residue pairs for spectroscopy experiments should capture the slowest conformational-change processes observed in the protein dynamics, and (2) any two sets of residue pairs should describe orthogonal conformational-change processes to maximize the overall information gain and reduce the number of probed residue pairs.\n\nInstallation\n-------------\nYou can install Optimal Probes with ``pip``:\n\n.. code-block:: python\n\n    pip install optimalprobes\n\nAlternatively, you can install directly from this GitHub repo:\n\n.. code-block:: python\n\n    git clone https://github.com/shuklagroup/optimalprobes.git\n    cd optimalprobes && git checkout 0.1.0\n    python setup.py install\n\n\nDependencies\n-------------\n* Python 2.7.11\n* Numpy 1.10.4\n* MDTraj 1.7.2\n* MSMBuilder 3.4.0\n* osprey 1.0.0.dev0\n\nCiting\n------\nIf you use Optimal Probes in your research, please cite:\n\n.. code-block:: python\n\n\t@article{optimalprobes,\n\t\tdoi = {10.1021/acs.jpcb.7b04785},\n\t\turl = {https://doi.org/10.1021/acs.jpcb.7b04785},\n\t\tyear  = {2017},\n\t\tmonth = {aug},\n\t\tpublisher = {American Chemical Society ({ACS})},\n\t\tvolume = {121},\n\t\tnumber = {42},\n\t\tpages = {9761--9770},\n\t\tauthor = {Shriyaa Mittal and Diwakar Shukla},\n\t\ttitle = {Predicting Optimal {DEER} Label Positions to Study Protein Conformational Heterogeneity},\n\t\tjournal = {The Journal of Physical Chemistry B}\n\t}",
        "description_content_type": "",
        "docs_url": null,
        "download_url": "",
        "downloads": {
            "last_day": -1,
            "last_month": -1,
            "last_week": -1
        },
        "home_page": "http://www.shuklagroup.org/",
        "keywords": "",
        "license": "Apache Software License",
        "maintainer": "",
        "maintainer_email": "",
        "name": "optimalprobes",
        "package_url": "https://pypi.org/project/optimalprobes/",
        "platform": "Linux",
        "project_url": "https://pypi.org/project/optimalprobes/",
        "project_urls": {
            "Homepage": "http://www.shuklagroup.org/"
        },
        "release_url": "https://pypi.org/project/optimalprobes/0.15.7/",
        "requires_dist": null,
        "requires_python": "",
        "summary": "Python command line application for Optimal Probes.",
        "version": "0.15.7"
    },
    "last_serial": 4313623,
    "releases": {
        "0.15.6": [
            {
                "comment_text": "",
                "digests": {
                    "md5": "a4717442a14161ec864d3b9320b8052f",
                    "sha256": "6d580b7c5b82e7f24e4210dc126e49ff6ba0a2e08db561a03bc1f82050e69779"
                },
                "downloads": -1,
                "filename": "optimalprobes-0.15.6.tar.gz",
                "has_sig": false,
                "md5_digest": "a4717442a14161ec864d3b9320b8052f",
                "packagetype": "sdist",
                "python_version": "source",
                "requires_python": null,
                "size": 10422,
                "upload_time": "2018-09-25T18:59:13",
                "url": "https://files.pythonhosted.org/packages/7a/e5/90e5a236f10b8f6ebc70d087888699b986073566745e96ba7ffe23347065/optimalprobes-0.15.6.tar.gz"
            }
        ],
        "0.15.7": [
            {
                "comment_text": "",
                "digests": {
                    "md5": "c2c137a3af155a6e987924cd7735a66a",
                    "sha256": "4b82f2a23941c8fc38a51232525461d94cd1c0ad225720b7bcb8701d1475c845"
                },
                "downloads": -1,
                "filename": "optimalprobes-0.15.7.tar.gz",
                "has_sig": false,
                "md5_digest": "c2c137a3af155a6e987924cd7735a66a",
                "packagetype": "sdist",
                "python_version": "source",
                "requires_python": null,
                "size": 10334,
                "upload_time": "2018-09-26T18:33:52",
                "url": "https://files.pythonhosted.org/packages/40/0d/a7c86fdf88da22930b52a657b0009da04a2536ce5ad7ec80b7c842a0551f/optimalprobes-0.15.7.tar.gz"
            }
        ]
    },
    "urls": [
        {
            "comment_text": "",
            "digests": {
                "md5": "c2c137a3af155a6e987924cd7735a66a",
                "sha256": "4b82f2a23941c8fc38a51232525461d94cd1c0ad225720b7bcb8701d1475c845"
            },
            "downloads": -1,
            "filename": "optimalprobes-0.15.7.tar.gz",
            "has_sig": false,
            "md5_digest": "c2c137a3af155a6e987924cd7735a66a",
            "packagetype": "sdist",
            "python_version": "source",
            "requires_python": null,
            "size": 10334,
            "upload_time": "2018-09-26T18:33:52",
            "url": "https://files.pythonhosted.org/packages/40/0d/a7c86fdf88da22930b52a657b0009da04a2536ce5ad7ec80b7c842a0551f/optimalprobes-0.15.7.tar.gz"
        }
    ]
}