{"id":15442895,"url":"https://github.com/domdfcoding/msp2lib","last_synced_at":"2026-01-07T10:51:33.244Z","repository":{"id":48795169,"uuid":"258219919","full_name":"domdfcoding/msp2lib","owner":"domdfcoding","description":"Convert an MSP file representing one or more Mass Spectra to a NIST MS Search user library.","archived":false,"fork":false,"pushed_at":"2024-04-26T08:31:16.000Z","size":299,"stargazers_count":1,"open_issues_count":1,"forks_count":1,"subscribers_count":3,"default_branch":"master","last_synced_at":"2024-05-02T05:16:51.573Z","etag":null,"topics":["chemistry","docker","mass-spectrometry","python","python3","wine"],"latest_commit_sha":null,"homepage":"https://msp2lib.readthedocs.io/en/latest","language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"lgpl-3.0","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/domdfcoding.png","metadata":{"files":{"readme":"README.rst","changelog":null,"contributing":"CONTRIBUTING.rst","funding":null,"license":"LICENSE","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null}},"created_at":"2020-04-23T13:47:09.000Z","updated_at":"2024-04-26T08:31:17.000Z","dependencies_parsed_at":"2023-09-26T01:42:02.186Z","dependency_job_id":"53232629-5706-4b8c-9e4f-bcc845260e13","html_url":"https://github.com/domdfcoding/msp2lib","commit_stats":null,"previous_names":[],"tags_count":4,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/domdfcoding%2Fmsp2lib","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/domdfcoding%2Fmsp2lib/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/domdfcoding%2Fmsp2lib/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/domdfcoding%2Fmsp2lib/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/domdfcoding","download_url":"https://codeload.github.com/domdfcoding/msp2lib/tar.gz/refs/heads/master","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":241587784,"owners_count":19986628,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":["chemistry","docker","mass-spectrometry","python","python3","wine"],"created_at":"2024-10-01T19:31:17.502Z","updated_at":"2026-01-07T10:51:33.213Z","avatar_url":"https://github.com/domdfcoding.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"=========\nmsp2lib\n=========\n\n**The NIST Library Conversion program running in Wine and Docker**\n\nThis is a Python script to facilitate conversion from MSP files to NIST MS Search user libraries.\n\n\n.. start shields\n\n.. list-table::\n\t:stub-columns: 1\n\t:widths: 10 90\n\n\t* - Docs\n\t  - |docs| |docs_check|\n\t* - Tests\n\t  - |actions_linux|\n\t* - PyPI\n\t  - |pypi-version| |supported-versions| |supported-implementations| |wheel|\n\t* - Activity\n\t  - |commits-latest| |commits-since| |maintained| |pypi-downloads|\n\t* - QA\n\t  - |codefactor| |actions_flake8| |actions_mypy|\n\t* - Docker\n\t  - |docker_build| |docker_automated| |docker_size|\n\t* - Other\n\t  - |license| |language| |requires|\n\n.. |docs| image:: https://img.shields.io/readthedocs/msp2lib/latest?logo=read-the-docs\n\t:target: https://msp2lib.readthedocs.io/en/latest\n\t:alt: Documentation Build Status\n\n.. |docs_check| image:: https://github.com/domdfcoding/msp2lib/workflows/Docs%20Check/badge.svg\n\t:target: https://github.com/domdfcoding/msp2lib/actions?query=workflow%3A%22Docs+Check%22\n\t:alt: Docs Check Status\n\n.. |actions_linux| image:: https://github.com/domdfcoding/msp2lib/workflows/Linux/badge.svg\n\t:target: https://github.com/domdfcoding/msp2lib/actions?query=workflow%3A%22Linux%22\n\t:alt: Linux Test Status\n\n.. |actions_flake8| image:: https://github.com/domdfcoding/msp2lib/workflows/Flake8/badge.svg\n\t:target: https://github.com/domdfcoding/msp2lib/actions?query=workflow%3A%22Flake8%22\n\t:alt: Flake8 Status\n\n.. |actions_mypy| image:: https://github.com/domdfcoding/msp2lib/workflows/mypy/badge.svg\n\t:target: https://github.com/domdfcoding/msp2lib/actions?query=workflow%3A%22mypy%22\n\t:alt: mypy status\n\n.. |requires| image:: https://dependency-dash.repo-helper.uk/github/domdfcoding/msp2lib/badge.svg\n\t:target: https://dependency-dash.repo-helper.uk/github/domdfcoding/msp2lib/\n\t:alt: Requirements Status\n\n.. |codefactor| image:: https://img.shields.io/codefactor/grade/github/domdfcoding/msp2lib?logo=codefactor\n\t:target: https://www.codefactor.io/repository/github/domdfcoding/msp2lib\n\t:alt: CodeFactor Grade\n\n.. |pypi-version| image:: https://img.shields.io/pypi/v/msp2lib\n\t:target: https://pypi.org/project/msp2lib/\n\t:alt: PyPI - Package Version\n\n.. |supported-versions| image:: https://img.shields.io/pypi/pyversions/msp2lib?logo=python\u0026logoColor=white\n\t:target: https://pypi.org/project/msp2lib/\n\t:alt: PyPI - Supported Python Versions\n\n.. |supported-implementations| image:: https://img.shields.io/pypi/implementation/msp2lib\n\t:target: https://pypi.org/project/msp2lib/\n\t:alt: PyPI - Supported Implementations\n\n.. |wheel| image:: https://img.shields.io/pypi/wheel/msp2lib\n\t:target: https://pypi.org/project/msp2lib/\n\t:alt: PyPI - Wheel\n\n.. |license| image:: https://img.shields.io/github/license/domdfcoding/msp2lib\n\t:target: https://github.com/domdfcoding/msp2lib/blob/master/LICENSE\n\t:alt: License\n\n.. |language| image:: https://img.shields.io/github/languages/top/domdfcoding/msp2lib\n\t:alt: GitHub top language\n\n.. |commits-since| image:: https://img.shields.io/github/commits-since/domdfcoding/msp2lib/v0.1.3\n\t:target: https://github.com/domdfcoding/msp2lib/pulse\n\t:alt: GitHub commits since tagged version\n\n.. |commits-latest| image:: https://img.shields.io/github/last-commit/domdfcoding/msp2lib\n\t:target: https://github.com/domdfcoding/msp2lib/commit/master\n\t:alt: GitHub last commit\n\n.. |maintained| image:: https://img.shields.io/maintenance/yes/2025\n\t:alt: Maintenance\n\n.. |pypi-downloads| image:: https://img.shields.io/pypi/dm/msp2lib\n\t:target: https://pypi.org/project/msp2lib/\n\t:alt: PyPI - Downloads\n\n.. |docker_build| image:: https://img.shields.io/docker/cloud/build/domdfcoding/lib2nist-wine?label=build\u0026logo=docker\n\t:target: https://hub.docker.com/r/domdfcoding/lib2nist-wine\n\t:alt: Docker Hub Build Status\n\n.. |docker_automated| image:: https://img.shields.io/docker/cloud/automated/domdfcoding/lib2nist-wine?label=build\u0026logo=docker\n\t:target: https://hub.docker.com/r/domdfcoding/lib2nist-wine/builds\n\t:alt: Docker Hub Automated build\n\n.. |docker_size| image:: https://img.shields.io/docker/image-size/domdfcoding/lib2nist-wine?label=image%20size\u0026logo=docker\n\t:target: https://hub.docker.com/r/domdfcoding/lib2nist-wine\n\t:alt: Docker Image Size\n\n.. end shields\n\n\nInstallation\n===============\n\n.. start installation\n\n``msp2lib`` can be installed from PyPI.\n\nTo install with ``pip``:\n\n.. code-block:: bash\n\n\t$ python -m pip install msp2lib\n\n.. end installation\n\n\nUsage\n=========\n\n.. code-block::\n\n\tmsp2lib.py [input_file] [output_dir]\n\nwhere ``input_file`` is the MSP file to be converted and ``output_dir`` is the directory to\nsave the output library in. If ``output_dir`` is unspecified the current working directory\nis used instead.\n\nDocker must be installed to use this program.\n\nThe first time this script is run it will download the latest\nversion of the docker image automatically. This can also be done manually,\nsuch as to upgrade to the latest version, by running with the ``--get-docker-image`` flag.\n\nFor more usage information see the manpage or run with the ``--help`` flag.\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fdomdfcoding%2Fmsp2lib","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fdomdfcoding%2Fmsp2lib","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fdomdfcoding%2Fmsp2lib/lists"}