mdanalysis 2.7.0-1 source package in Ubuntu
Changelog
mdanalysis (2.7.0-1) unstable; urgency=medium [ Andreas Tille ] * New upstream version - supports Python 3.12. Closes: #1071800, #1061811. * Build-Depends: s/dh-python/dh-sequence-python3/ (routine-update) * Rules-Requires-Root: no (routine-update) * No tab in license text (routine-update) * Fix field name typo in debian/copyright (Comments ⇒ Comment). * Add upstream metadata [ Drew Parsons ] * Build-Depends: python3-mda-xdrlib * debian patch xdr_type_PR4408.patch applies upstream PR#4408 to fix XDR types. See upstream Issue#4589. * remove generated timestep.cpp during clean. Closes: #1045215. * debian patchdoc_no_mdanalysis_sphinx.patch disables use of custom sphinx theme * Standards-Version: 4.7.0 -- Drew Parsons <email address hidden> Sun, 28 Jul 2024 16:38:17 +0200
Upload details
- Uploaded by:
- Debichem Team
- Uploaded to:
- Sid
- Original maintainer:
- Debichem Team
- Architectures:
- any all
- Section:
- misc
- Urgency:
- Medium Urgency
See full publishing history Publishing
Series | Published | Component | Section |
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Downloads
File | Size | SHA-256 Checksum |
---|---|---|
mdanalysis_2.7.0-1.dsc | 2.8 KiB | 8cb6d6c6c44a29e0bbca94f867ad23699ad7d5c9c75dfff5f3cc5a87f4df8b88 |
mdanalysis_2.7.0.orig.tar.xz | 44.8 MiB | 52021a0476fd183eaa45e14cf8cba455beaadb25801fc16bd6dddadabc4b91cf |
mdanalysis_2.7.0-1.debian.tar.xz | 9.7 KiB | ff729c4baf365b74e7995e9ff220f93b71b0a9735231ee68d052d7d4bc104f0d |
No changes file available.
Binary packages built by this source
- python-mdanalysis-doc: analyse molecular dynamics files and trajectories ( documentation)
MDAnalysis is a Python library for the analysis of computer
simulations of many-body systems at the molecular scale, spanning use
cases from interactions of drugs with proteins to novel materials. It
is widely used in the scientific community and is written by
scientists for scientists.
.
MDAnalysis allows one to read particle-based trajectories (including
individual coordinate frames such as biomolecules in the PDB format)
and access the atomic coordinates through NumPy arrays. This provides
a flexible and relatively fast framework for complex analysis tasks.
In addition, powerful atom selection commands are implemented.
Trajectories can also be manipulated (for instance, fit to a
reference structure) and written out.
.
It works with a wide range of popular simulation packages including
Gromacs, Amber, NAMD, CHARMM, DL_Poly, HooMD, LAMMPS and many others
— see the lists of supported trajectory formats and topology formats.
MDAnalysis also includes widely used analysis algorithms in the
MDAnalysis.analysis module.
.
The MDAnalysis project uses an open governance model and is fiscally
sponsored by NumFOCUS.
.
This is the documentation package for MDAnalysis.
- python3-mdanalysis: analyse molecular dynamics files and trajectories
MDAnalysis is a Python library for the analysis of computer
simulations of many-body systems at the molecular scale, spanning use
cases from interactions of drugs with proteins to novel materials. It
is widely used in the scientific community and is written by
scientists for scientists.
.
MDAnalysis allows one to read particle-based trajectories (including
individual coordinate frames such as biomolecules in the PDB format)
and access the atomic coordinates through NumPy arrays. This provides
a flexible and relatively fast framework for complex analysis tasks.
In addition, powerful atom selection commands are implemented.
Trajectories can also be manipulated (for instance, fit to a
reference structure) and written out.
.
It works with a wide range of popular simulation packages including
Gromacs, Amber, NAMD, CHARMM, DL_Poly, HooMD, LAMMPS and many others
— see the lists of supported trajectory formats and topology formats.
MDAnalysis also includes widely used analysis algorithms in the
MDAnalysis.analysis module.
.
The MDAnalysis project uses an open governance model and is fiscally
sponsored by NumFOCUS.
.
This package installs the library for Python 3.
- python3-mdanalysis-dbgsym: debug symbols for python3-mdanalysis