MDTraj: Read, write and analyze MD trajectories with only a few lines of Python code.
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-1.4.0.zip
(22.0 MB
view details)
mdtraj-1.4.0.tar.gz
(21.5 MB
view details)
File details
Details for the file mdtraj-1.4.0.zip.
File metadata
- Download URL: mdtraj-1.4.0.zip
- Upload date:
- Size: 22.0 MB
- Tags: Source
- Uploaded using Trusted Publishing? No
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 6337fe3cc50c9ad1c745019e84175dd3c56b108b7f3000e1296549969c6916de |
|
| MD5 | c88681b41349d28efa899fd2fad518f8 |
|
| BLAKE2b-256 | 204d0fdff16d6d1b9a1e1e0d6f0391226c2a0791810e07772fa7e3b6713e5c9a |
Provenance
File details
Details for the file mdtraj-1.4.0.tar.gz.
File metadata
- Download URL: mdtraj-1.4.0.tar.gz
- Upload date:
- Size: 21.5 MB
- Tags: Source
- Uploaded using Trusted Publishing? No
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 26fc6c481cb472e66238542f6071d53fba45ff7fd542914b53fea2bb28c8f272 |
|
| MD5 | 11df765a2e2c539c0837ed5b3ce29802 |
|
| BLAKE2b-256 | 971cbce6eb773069063889ddf3969cdbd547697cca8909de4a285721bd4b936c |
