moltemplate


Namemoltemplate JSON
Version 2.22.0 PyPI version JSON
download
home_pagehttps://github.com/jewettaij/moltemplate
SummaryA general cross-platform text-based molecule builder for LAMMPS
upload_time2024-12-08 05:25:46
maintainerNone
docs_urlNone
authorAndrew Jewett
requires_pythonNone
licenseMIT
keywords simulation lammps molecule editor molecule builder espresso
VCS
bugtrack_url
requirements No requirements were recorded.
Travis-CI No Travis.
coveralls test coverage No coveralls.
            Moltemplate is a general cross-platform text-based molecule builder for LAMMPS and ESPResSo. Moltemplate was intended for building custom coarse-grained molecular models, but it can be used to prepare realistic all-atom simulations as well.  It supports a variety of force fields for all-atom and coarse-grained modeling (including many-body forces and non-point-like particles).  New force fields and examples are added continually by users.  NOTE: Downloading moltemplate from pypi using PIP will omit all examples and documentation.  Examples and documentation are available at https://moltemplate.org and https://github.com/jewettaij/moltemplate.

            

Raw data

            {
    "_id": null,
    "home_page": "https://github.com/jewettaij/moltemplate",
    "name": "moltemplate",
    "maintainer": null,
    "docs_url": null,
    "requires_python": null,
    "maintainer_email": null,
    "keywords": "simulation, LAMMPS, molecule editor, molecule builder, ESPResSo",
    "author": "Andrew Jewett",
    "author_email": "jewett.aij@gmail.com",
    "download_url": "https://files.pythonhosted.org/packages/50/e1/a48156868d4e47b0686e21fc4f392d3daffaa593523e2defba0533c1803f/moltemplate-2.22.0.tar.gz",
    "platform": null,
    "description": "Moltemplate is a general cross-platform text-based molecule builder for LAMMPS and ESPResSo. Moltemplate was intended for building custom coarse-grained molecular models, but it can be used to prepare realistic all-atom simulations as well.  It supports a variety of force fields for all-atom and coarse-grained modeling (including many-body forces and non-point-like particles).  New force fields and examples are added continually by users.  NOTE: Downloading moltemplate from pypi using PIP will omit all examples and documentation.  Examples and documentation are available at https://moltemplate.org and https://github.com/jewettaij/moltemplate.\n",
    "bugtrack_url": null,
    "license": "MIT",
    "summary": "A general cross-platform text-based molecule builder for LAMMPS",
    "version": "2.22.0",
    "project_urls": {
        "Download": "https://github.com/jewettaij/moltemplate/archive/v2.22.0.zip",
        "Homepage": "https://github.com/jewettaij/moltemplate"
    },
    "split_keywords": [
        "simulation",
        " lammps",
        " molecule editor",
        " molecule builder",
        " espresso"
    ],
    "urls": [
        {
            "comment_text": "",
            "digests": {
                "blake2b_256": "c9066998bd94efa6454773ada5ebff264bf048f8ee3c2344d38b1677e0089530",
                "md5": "f23d55a852896013161c9f2660f70c44",
                "sha256": "49402367f7a382b5028f962c0998b36f200aede30efe0853f6a8aeeecef48e0c"
            },
            "downloads": -1,
            "filename": "moltemplate-2.22.0-py3-none-any.whl",
            "has_sig": false,
            "md5_digest": "f23d55a852896013161c9f2660f70c44",
            "packagetype": "bdist_wheel",
            "python_version": "py3",
            "requires_python": null,
            "size": 1130167,
            "upload_time": "2024-12-08T05:25:44",
            "upload_time_iso_8601": "2024-12-08T05:25:44.439890Z",
            "url": "https://files.pythonhosted.org/packages/c9/06/6998bd94efa6454773ada5ebff264bf048f8ee3c2344d38b1677e0089530/moltemplate-2.22.0-py3-none-any.whl",
            "yanked": false,
            "yanked_reason": null
        },
        {
            "comment_text": "",
            "digests": {
                "blake2b_256": "50e1a48156868d4e47b0686e21fc4f392d3daffaa593523e2defba0533c1803f",
                "md5": "995f7b5b359212568b602603e690ac8c",
                "sha256": "6452433a5fe6b3fa11fd3c93fd20e9ca37e3d2a4652469102264d40b557eb43e"
            },
            "downloads": -1,
            "filename": "moltemplate-2.22.0.tar.gz",
            "has_sig": false,
            "md5_digest": "995f7b5b359212568b602603e690ac8c",
            "packagetype": "sdist",
            "python_version": "source",
            "requires_python": null,
            "size": 995052,
            "upload_time": "2024-12-08T05:25:46",
            "upload_time_iso_8601": "2024-12-08T05:25:46.645871Z",
            "url": "https://files.pythonhosted.org/packages/50/e1/a48156868d4e47b0686e21fc4f392d3daffaa593523e2defba0533c1803f/moltemplate-2.22.0.tar.gz",
            "yanked": false,
            "yanked_reason": null
        }
    ],
    "upload_time": "2024-12-08 05:25:46",
    "github": true,
    "gitlab": false,
    "bitbucket": false,
    "codeberg": false,
    "github_user": "jewettaij",
    "github_project": "moltemplate",
    "travis_ci": false,
    "coveralls": false,
    "github_actions": true,
    "circle": true,
    "lcname": "moltemplate"
}
        
Elapsed time: 0.39761s