Ubuntu
mdanalysis package

mdanalysis 2.7.0-5 source package in Ubuntu

Changelog

mdanalysis (2.7.0-5) unstable; urgency=medium

  * debian/tests: fix i386 test skips

 -- Drew Parsons <email address hidden>  Sat, 10 Aug 2024 19:37:15 +0200

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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 Pocket Published Component Section
Oracular release universe misc

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File Size SHA-256 Checksum
mdanalysis_2.7.0-5.dsc 2.8 KiB 9b1b365e390926dd4a4549e067391bba729cac6aa245bf4934e7d8ab162ac3b0
mdanalysis_2.7.0.orig.tar.xz 44.8 MiB 52021a0476fd183eaa45e14cf8cba455beaadb25801fc16bd6dddadabc4b91cf
mdanalysis_2.7.0-5.debian.tar.xz 10.6 KiB f1295bcc5b71d6d626e66834ca637e881f3a5c758cb5c08a4e5f2ec4484e062f

Available diffs

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