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-1.9.1.tar.gz
(2.0 MB
view details)
File details
Details for the file mdtraj-1.9.1.tar.gz.
File metadata
- Download URL: mdtraj-1.9.1.tar.gz
- Upload date:
- Size: 2.0 MB
- Tags: Source
- Uploaded using Trusted Publishing? No
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
ca1ae07c5f5ce59940a48388ac9b098f8e22743b5f3ed3f46d5e3d1317b06282
|
|
| MD5 |
ba256a0ac590982c9a6217f7c1002620
|
|
| BLAKE2b-256 |
af938ad08f58668db6e3bf85e402c9c753fa4425c249de276b55f20c08e3fff7
|
