MDTraj: A modern, open library for the analysis of molecular dynamics trajectories
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, tng, and trr, CHARMM / NAMD dcd, AMBER binpos, AMBER NetCDF, AMBER mdcrd, TINKER arc and MDTraj HDF5.
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
mdtraj-1.9.7.tar.gz
(2.1 MB
view details)
File details
Details for the file mdtraj-1.9.7.tar.gz.
File metadata
- Download URL: mdtraj-1.9.7.tar.gz
- Upload date:
- Size: 2.1 MB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/3.6.0 importlib_metadata/4.8.2 pkginfo/1.7.1 requests/2.26.0 requests-toolbelt/0.9.1 tqdm/4.62.3 CPython/3.7.12
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 8a3309d2ef6ddb1023dcf48300d5df9b190469b63f69af9d55490bc4799d3757 |
|
| MD5 | 3e362b6aa1c2677ccc86c518203ea020 |
|
| BLAKE2b-256 | 2f03c174bfb6471f796472ce1d8695f6c0d1a20ad6516cb789b70052df45b7a6 |
