MDTraj: Read, write and analyze MD trajectories with only a few lines of Python code.

Navigation

Verified details

These details have been verified by PyPI
Maintainers
Avatar for jeremyleung521 from gravatar.com jeremyleung521 Avatar for marscher from gravatar.com marscher Avatar for mattwthompson from gravatar.com mattwthompson Avatar for mpharrigan from gravatar.com mpharrigan Avatar for rmcgibbo from gravatar.com rmcgibbo Avatar for sukritsingh from gravatar.com sukritsingh

Unverified details

These details have not been verified by PyPI
Project links
Meta
  • License: GNU Lesser General Public License v2 or later (LGPLv2+) (LGPLv2.1+)
  • Author: Robert McGibbon
Classifiers

Project description

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 and trr, CHARMM / NAMD dcd, AMBER binpos, AMBER NetCDF, AMBER mdcrd, TINKER arc and MDTraj HDF5.

Project details

Verified details

These details have been verified by PyPI
Maintainers
Avatar for jeremyleung521 from gravatar.com jeremyleung521 Avatar for marscher from gravatar.com marscher Avatar for mattwthompson from gravatar.com mattwthompson Avatar for mpharrigan from gravatar.com mpharrigan Avatar for rmcgibbo from gravatar.com rmcgibbo Avatar for sukritsingh from gravatar.com sukritsingh

Unverified details

These details have not been verified by PyPI
Project links
Meta
  • License: GNU Lesser General Public License v2 or later (LGPLv2+) (LGPLv2.1+)
  • Author: Robert McGibbon
Classifiers

Release history Release notifications | RSS feed

1.10.1

1.10.0

1.10.0rc2 pre-release

1.10.0rc1 pre-release

1.9.9

1.9.8

1.9.7

1.9.6

1.9.5

1.9.4

1.9.3

1.9.2

1.9.1

1.8.0

1.7.2

1.6.1

1.6.0

1.5.1

1.5.0

1.4.2

1.4.1

1.4.0

1.3.0

1.2.0

1.1.0

This version

1.0.0

0.9.0

0.8.0

0.7.0

0.6.1

0.6.0

0.5.1

0.5.0

0.4.3

0.4.1

0.4.0

0.3.1

0.3

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distributions

mdtraj-1.0.0.zip (5.9 MB view details)

Uploaded Source

mdtraj-1.0.0.tar.gz (5.7 MB view details)

Uploaded Source

File details

Details for the file mdtraj-1.0.0.zip.

File metadata

  • Download URL: mdtraj-1.0.0.zip
  • Upload date:
  • Size: 5.9 MB
  • Tags: Source
  • Uploaded using Trusted Publishing? No

File hashes

Hashes for mdtraj-1.0.0.zip
Algorithm Hash digest
SHA256 8aa8e04038453b3201d906e1ecb01cb4261f0e9230d72e62786255f68e09d86d
MD5 04a5f364e0cd9fb8b0a79af05be4d188
BLAKE2b-256 8e369fd92ca45c2b84384f78020524edb9dfd2d4cefc0595472cc60b64af62ed

See more details on using hashes here.

File details

Details for the file mdtraj-1.0.0.tar.gz.

File metadata

  • Download URL: mdtraj-1.0.0.tar.gz
  • Upload date:
  • Size: 5.7 MB
  • Tags: Source
  • Uploaded using Trusted Publishing? No

File hashes

Hashes for mdtraj-1.0.0.tar.gz
Algorithm Hash digest
SHA256 13ad540294bab66f794a16e4c703297e3c0a35b5ea6a62d569d69ce98e25341f
MD5 357cc06f5bcce6fb2aa073224bdcf389
BLAKE2b-256 de4bcb27df1a4b50e52cbbd33d8e123d3f252e108a263a8389a8297e5810b453

See more details on using hashes here.

Supported by

AWS AWS Cloud computing and Security Sponsor Datadog Datadog Monitoring Fastly Fastly CDN Google Google Download Analytics Microsoft Microsoft PSF Sponsor Pingdom Pingdom Monitoring Sentry Sentry Error logging StatusPage StatusPage Status page