{ "info": { "author": "Alexander S. Rose", "author_email": "alexander.rose@weirdbyte.de", "bugtrack_url": null, "classifiers": [ "Development Status :: 4 - Beta", "Intended Audience :: Developers", "Intended Audience :: Science/Research", "License :: OSI Approved :: GNU General Public License v2 or later (GPLv2+)", "Operating System :: MacOS", "Operating System :: Microsoft :: Windows", "Operating System :: POSIX", "Operating System :: Unix", "Programming Language :: C", "Programming Language :: Python", "Programming Language :: Python :: 2", "Programming Language :: Python :: 3", "Topic :: Scientific/Engineering :: Bio-Informatics", "Topic :: Scientific/Engineering :: Chemistry" ], "description": "\nLightweight coordinate-only trajectory reader based on code from [GROMACS](http://www.gromacs.org/), [MDAnalysis](http://www.mdanalysis.org/) and [VMD](http://www.ks.uiuc.edu/Research/vmd/).\n\nUsed for coordinate retrieval in [MDSrv](https://github.com/arose/mdsrv) and [nglview](https://github.com/arose/nglview).\n\nShould work with Python 2 and 3. If you experience problems, please file an [issue](https://github.com/arose/simpletraj/issues).\n\n\nInstallation\n============\n\nFrom PyPI:\n\n pip install simpletraj\n\n\nnetCDF4\n-------\n\nFor reading `.netcdf` trajectory files the `netCDF4` package is needed. As installing it can prove difficult, it is not a required package and must be installed separately.\n\nIf you use `conda` as your Python package manager:\n\n conda install netcdf4\n\n\nTo install the NetCDF libraries and its Python package on debian/ubuntu:\n\n sudo apt-get install libhdf5-serial-dev libnetcdf-dev\n pip install netCDF4\n\n\nIn case you get \"ValueError: did not find HDF5 headers\" try:\n\n sudo su\n find / -name \"libhdf5*.so*\"\n # use what the above 'find' suggests to set 'HDF5_DIR'\n export HDF5_DIR=/usr/lib/i386-linux-gnu/hdf5/serial/\n pip install netCDF4\n\n\nChangelog\n=========\n\nVersion 0.4 and 0.5\n-------------------\n\n* FIX: Python 3 compatibility (iter/iteritems)\n\n\nVersion 0.3\n-----------\n\n* FIX: DCD Python 2 compatibility\n\n\nVersion 0.2\n-----------\n\n* ADD: package ready for PyPI\n* CODE: Python 3 compatibility\n* CODE: handle errors during offsets file reading/writing\n\n\nVersion 0.1\n-----------\n\ninitial version (no release)\n\n\nLicense\n=======\n\nGenerally GPL2, see the LICENSE file for details.\n", "description_content_type": null, "docs_url": null, "download_url": "UNKNOWN", "downloads": { "last_day": -1, "last_month": -1, "last_week": -1 }, "home_page": "https://github.com/arose/simpletraj", "keywords": null, "license": "GPL2", "maintainer": null, "maintainer_email": null, "name": "simpletraj", "package_url": "https://pypi.org/project/simpletraj/", "platform": "UNKNOWN", "project_url": "https://pypi.org/project/simpletraj/", "project_urls": { "Download": "UNKNOWN", "Homepage": "https://github.com/arose/simpletraj" }, "release_url": "https://pypi.org/project/simpletraj/0.5/", "requires_dist": null, "requires_python": null, "summary": "Lightweight coordinate-only trajectory reader based on code from GROMACS, MDAnalysis, VMD.", "version": "0.5" }, "last_serial": 2381351, "releases": { "0.2": [ { "comment_text": "", "digests": { "md5": "516b5b302fe017a67e35c6cb995c108e", "sha256": "337f75da29ab5f030dd77ebd8a8d1bc182be86e33672435ef7e30542be99586c" }, "downloads": -1, "filename": "simpletraj-0.2.tar.gz", "has_sig": false, "md5_digest": "516b5b302fe017a67e35c6cb995c108e", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 86896, "upload_time": "2015-11-20T14:10:57", "url": "https://files.pythonhosted.org/packages/4c/d6/4bb34471570a8238d7a6689ee3e987a674ce33645d992a5d01931f5005b7/simpletraj-0.2.tar.gz" } ], "0.3": [ { "comment_text": "", "digests": { "md5": "d8a5e44880f9b07d3d6b801bbc80c9f9", "sha256": "1646aa2ca83ac0b45847133dec8f4e929e9a883c912420e3acd73020da526d67" }, "downloads": -1, "filename": "simpletraj-0.3.tar.gz", "has_sig": false, "md5_digest": "d8a5e44880f9b07d3d6b801bbc80c9f9", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 87652, "upload_time": "2015-11-22T21:55:06", "url": "https://files.pythonhosted.org/packages/fa/1d/29c83f0637c04b40681e9088c06edde961ce9a28c400e45438fda4132fa4/simpletraj-0.3.tar.gz" } ], "0.4": [ { "comment_text": "", "digests": { "md5": "56f5d283e9064eeac5a294283cfd55fe", "sha256": "f9cabb4184e464179ceae6666ac8d6d28f7c970950365580c440312d98a9c4fb" }, "downloads": -1, "filename": "simpletraj-0.4.tar.gz", "has_sig": false, "md5_digest": "56f5d283e9064eeac5a294283cfd55fe", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 87665, "upload_time": "2016-10-05T04:28:26", "url": "https://files.pythonhosted.org/packages/0c/de/05f2037b2c4052369de0c188379be9730b146e11e01d6477a7a666824185/simpletraj-0.4.tar.gz" } ], "0.5": [ { "comment_text": "", "digests": { "md5": "4121e82cfdd66f880a5fe2aa61a47051", "sha256": "860ccba82e7a6085ef1cbff74eb2db53df65fd58edabae3c45b8c45a219b8a3b" }, "downloads": -1, "filename": "simpletraj-0.5.tar.gz", "has_sig": false, "md5_digest": "4121e82cfdd66f880a5fe2aa61a47051", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 87679, "upload_time": "2016-10-05T04:48:56", "url": "https://files.pythonhosted.org/packages/ee/b7/881e0447e0efd8cf5c9fb7b6afa949f1f1bd06308e67497562a097e71ca8/simpletraj-0.5.tar.gz" } ] }, "urls": [ { "comment_text": "", "digests": { "md5": "4121e82cfdd66f880a5fe2aa61a47051", "sha256": "860ccba82e7a6085ef1cbff74eb2db53df65fd58edabae3c45b8c45a219b8a3b" }, "downloads": -1, "filename": "simpletraj-0.5.tar.gz", "has_sig": false, "md5_digest": "4121e82cfdd66f880a5fe2aa61a47051", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 87679, "upload_time": "2016-10-05T04:48:56", "url": "https://files.pythonhosted.org/packages/ee/b7/881e0447e0efd8cf5c9fb7b6afa949f1f1bd06308e67497562a097e71ca8/simpletraj-0.5.tar.gz" } ] }