deb_control_files:
- control
- md5sums
- postinst
- prerm
deb_fields:
Architecture: amd64
Depends: python3 (<< 3.14), python3 (>= 3.12~), python3-numpy (>= 1:1.25.0), python3-numpy-abi9,
python3-packaging, python3-pyparsing, python3-scipy, python3:any, libc6 (>= 2.38),
libgcc-s1 (>= 3.0), libgomp1 (>= 4.9), libstdc++6 (>= 13.1), python3-networkx,
python3-pandas, python3-tables
Description: |-
Read, write and analyze MD trajectories in Python
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.
.
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.
Homepage: https://mdtraj.org/
Installed-Size: '7700'
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Package: python3-mdtraj
Priority: optional
Recommends: python3-gsd, python3-netcdf4
Section: python
Source: mdtraj (1.10.1-2)
Suggests: python-mdtraj-doc
Version: 1.10.1-2+b1
srcpkg_name: mdtraj
srcpkg_version: 1.10.1-2