- libjs-mathjax
- libjs-sphinxdoc (>= 8.1)
- sphinx-rtd-theme-common (>= 3.0.2+dfsg)
Read, write and analyze MD trajectories with only a few lines of
Python code.
.
MDTraj is a Python library that allows users to manipulate molecular
dynamics (MD) trajectories. Features include:
* Wide MD format support, including pdb, xtc, trr, dcd, binpos,
netcdf, mdcrd, prmtop, and more.
* Extremely fast RMSD calculations (4x the speed of the original
Theobald QCP).
* Extensive analysis functions including those that compute bonds,
angles, dihedrals, hydrogen bonds, secondary structure, and NMR
observables.
* Lightweight, Pythonic API.
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This is the documentation package for mdtraj.
Installed Size: 10.2 MB
Architectures: all