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 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 Distributions
mdtraj-1.4.2.zip
(14.8 MB
view details)
mdtraj-1.4.2.tar.gz
(14.5 MB
view details)
File details
Details for the file mdtraj-1.4.2.zip.
File metadata
- Download URL: mdtraj-1.4.2.zip
- Upload date:
- Size: 14.8 MB
- Tags: Source
- Uploaded using Trusted Publishing? No
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | dc1c31b956ad5e88590048abaaaa33bad58887262e94e2921c070d9e6d5fd5df |
|
| MD5 | 69689b13ceb7f0da7675e68a49791c47 |
|
| BLAKE2b-256 | 79d77ec8477e4293f027acd7695ae8d493eb7985aec5666ce3d117d48794fa5c |
Provenance
File details
Details for the file mdtraj-1.4.2.tar.gz.
File metadata
- Download URL: mdtraj-1.4.2.tar.gz
- Upload date:
- Size: 14.5 MB
- Tags: Source
- Uploaded using Trusted Publishing? No
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 7a1fa2ba877193f7d99d8c2fd9b0200fb124c8a2fbcbfa4e701a8b52718fa6a0 |
|
| MD5 | 9ff949cde6623edf47227a734c6f2224 |
|
| BLAKE2b-256 | af437594de45f455b32c5a057bc323336461a7f4299a5e93dfb57038e0c7c99c |
