Name | mdtraj JSON |
Version |
1.9.9
JSON |
| download |
home_page | http://mdtraj.org |
Summary | MDTraj: A modern, open library for the analysis of molecular dynamics trajectories |
upload_time | 2023-07-22 15:20:55 |
maintainer | |
docs_url | None |
author | Robert McGibbon |
requires_python | |
license | LGPLv2.1+ |
keywords |
|
VCS |
|
bugtrack_url |
|
requirements |
No requirements were recorded.
|
Travis-CI |
No Travis.
|
coveralls test coverage |
|
MDTraj is a python library that allows users to manipulate molecular dynamics
(MD) trajectories and perform a variety of analyses, including fast RMSD,
solvent accessible surface area, hydrogen bonding, etc. A highlight of MDTraj
is the wide variety of molecular dynamics trajectory file formats which are
supported, including RCSB pdb, GROMACS xtc, tng, and trr, CHARMM / NAMD dcd, AMBER
binpos, AMBER NetCDF, AMBER mdcrd, TINKER arc and MDTraj HDF5.
Raw data
{
"_id": null,
"home_page": "http://mdtraj.org",
"name": "mdtraj",
"maintainer": "",
"docs_url": null,
"requires_python": "",
"maintainer_email": "",
"keywords": "",
"author": "Robert McGibbon",
"author_email": "rmcgibbo@gmail.com",
"download_url": "https://files.pythonhosted.org/packages/0b/45/f94a06c8a3b1f91a692637f5216951b2205a265166ecfb1c7e3f4e172200/mdtraj-1.9.9.tar.gz",
"platform": "Linux",
"description": "MDTraj is a python library that allows users to manipulate molecular dynamics\n(MD) trajectories and perform a variety of analyses, including fast RMSD,\nsolvent accessible surface area, hydrogen bonding, etc. A highlight of MDTraj\nis the wide variety of molecular dynamics trajectory file formats which are\nsupported, including RCSB pdb, GROMACS xtc, tng, and trr, CHARMM / NAMD dcd, AMBER\nbinpos, AMBER NetCDF, AMBER mdcrd, TINKER arc and MDTraj HDF5.\n",
"bugtrack_url": null,
"license": "LGPLv2.1+",
"summary": "MDTraj: A modern, open library for the analysis of molecular dynamics trajectories",
"version": "1.9.9",
"project_urls": {
"Download": "https://github.com/rmcgibbo/mdtraj/releases/latest",
"Homepage": "http://mdtraj.org"
},
"split_keywords": [],
"urls": [
{
"comment_text": "",
"digests": {
"blake2b_256": "8812ecbe28c87bc3df8c4880cc742923a6f40633ca076c8f44b03533dfce0b66",
"md5": "2c4439e1f7e554e0509edf2d9c29e79d",
"sha256": "c36b307b7b8a999af4301122e03a6fdf7c11eb248a6dca2341ab64adb1c94a19"
},
"downloads": -1,
"filename": "mdtraj-1.9.9-cp39-cp39-macosx_10_9_x86_64.whl",
"has_sig": false,
"md5_digest": "2c4439e1f7e554e0509edf2d9c29e79d",
"packagetype": "bdist_wheel",
"python_version": "cp39",
"requires_python": null,
"size": 1539219,
"upload_time": "2023-07-22T15:23:17",
"upload_time_iso_8601": "2023-07-22T15:23:17.467562Z",
"url": "https://files.pythonhosted.org/packages/88/12/ecbe28c87bc3df8c4880cc742923a6f40633ca076c8f44b03533dfce0b66/mdtraj-1.9.9-cp39-cp39-macosx_10_9_x86_64.whl",
"yanked": false,
"yanked_reason": null
},
{
"comment_text": "",
"digests": {
"blake2b_256": "0b45f94a06c8a3b1f91a692637f5216951b2205a265166ecfb1c7e3f4e172200",
"md5": "ae0bce5eedd0ba66dc2b91b5886a07a8",
"sha256": "1b03f7ac753af5ca07cf874842689c8d49e791ee1242510875581df6100ca15e"
},
"downloads": -1,
"filename": "mdtraj-1.9.9.tar.gz",
"has_sig": false,
"md5_digest": "ae0bce5eedd0ba66dc2b91b5886a07a8",
"packagetype": "sdist",
"python_version": "source",
"requires_python": null,
"size": 2193163,
"upload_time": "2023-07-22T15:20:55",
"upload_time_iso_8601": "2023-07-22T15:20:55.371491Z",
"url": "https://files.pythonhosted.org/packages/0b/45/f94a06c8a3b1f91a692637f5216951b2205a265166ecfb1c7e3f4e172200/mdtraj-1.9.9.tar.gz",
"yanked": false,
"yanked_reason": null
}
],
"upload_time": "2023-07-22 15:20:55",
"github": true,
"gitlab": false,
"bitbucket": false,
"codeberg": false,
"github_user": "rmcgibbo",
"github_project": "mdtraj",
"travis_ci": false,
"coveralls": true,
"github_actions": true,
"lcname": "mdtraj"
}