mdtraj 1.9.7-6 source package in Ubuntu
Changelog
mdtraj (1.9.7-6) unstable; urgency=medium
* update debian patch test_relax_tol.patch to relax tolerance in
periodic test in test_distances_t (test_distance.py).
Was occasionally failing on arm64.
-- Drew Parsons <email address hidden> Wed, 01 Mar 2023 11:54:43 +0100
Upload details
- Uploaded by:
- Debichem Team
- Uploaded to:
- Sid
- Original maintainer:
- Debichem Team
- Architectures:
- any-amd64 arm64 i386 all
- Section:
- misc
- Urgency:
- Medium Urgency
See full publishing history Publishing
| Series | Published | Component | Section | |
|---|---|---|---|---|
| Mantic | release | universe | misc |
Downloads
| File | Size | SHA-256 Checksum |
|---|---|---|
| mdtraj_1.9.7-6.dsc | 2.6 KiB | f1eaf30bf4620ac3d033897ef8fd2235ed27eab7421114d66530fecbb19a3192 |
| mdtraj_1.9.7.orig.tar.gz | 20.7 MiB | 5c84c41e3a01e6512ac7077d153c8cb1ee01d82140ca532507c50c87650937e6 |
| mdtraj_1.9.7-6.debian.tar.xz | 292.4 KiB | 8b1fa5b9825164ad10551e7cb187046044c96d208815cad08c971443cf0e5748 |
Available diffs
- diff from 1.9.7-5build1 (in Ubuntu) to 1.9.7-6 (866 bytes)
No changes file available.
Binary packages built by this source
- python-mdtraj-doc: Read, write and analyze MD trajectories in Python (documentation)
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.
.
This is the documentation package for mdtraj.
- python3-mdtraj: 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.
- python3-mdtraj-dbgsym: debug symbols for python3-mdtraj
