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-1.0.0.zip
(5.9 MB
view details)
mdtraj-1.0.0.tar.gz
(5.7 MB
view details)
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
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
8aa8e04038453b3201d906e1ecb01cb4261f0e9230d72e62786255f68e09d86d
|
|
| MD5 |
04a5f364e0cd9fb8b0a79af05be4d188
|
|
| BLAKE2b-256 |
8e369fd92ca45c2b84384f78020524edb9dfd2d4cefc0595472cc60b64af62ed
|
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
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
13ad540294bab66f794a16e4c703297e3c0a35b5ea6a62d569d69ce98e25341f
|
|
| MD5 |
357cc06f5bcce6fb2aa073224bdcf389
|
|
| BLAKE2b-256 |
de4bcb27df1a4b50e52cbbd33d8e123d3f252e108a263a8389a8297e5810b453
|
