python3-mdtraj 1.9.7-5 (amd64 binary) in ubuntu lunar
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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MDTraj includes a command-line application, mdconvert-mdtraj,
for converting trajectories between formats.
.
This package installs the library for Python 3, together with the
command line utilities mdconvert-mdtraj and mdinspect.
Details
- Package version:
- 1.9.7-5
- Status:
- Superseded
- Component:
- universe
- Priority:
- Optional
Downloadable files
- python3-mdtraj_1.9.7-5_amd64.deb (1.6 MiB)
Package relationships
- Depends on:
- libc6 (>= 2.33)
- libgcc-s1 (>= 3.3.1)
- libgomp1 (>= 4.9)
- libstdc++6 (>= 11)
- python3 (<< 3.12)
- python3 (>= 3.10~)
- python3
- python3-astunparse
- python3-distutils
- python3-networkx
- python3-numpy (>= 1:1.22.0)
- python3-numpy-abi9
- python3-pandas
- python3-pyparsing
- python3-scipy
- python3-tables
- zlib1g (>= 1:1.2.0)
- Suggests: