Ubuntu
parmed package

parmed 4.3.1+dfsg-1 source package in Ubuntu

Changelog

parmed (4.3.1+dfsg-1) unstable; urgency=medium

  * New upstream release 4.3.1+dfsg-1
  * Annotate skip-tests-after-file-removal.patch.
  * Skip test_deserialize_integrator as it needs newer OpenMM.

 -- Andrius Merkys <email address hidden>  Mon, 19 Jan 2026 08:46:11 -0500

Upload details

Uploaded by:
Debichem Team
Uploaded to:
Sid
Original maintainer:
Debichem Team
Architectures:
any
Section:
misc
Urgency:
Medium Urgency

See full publishing history Publishing

Series Pocket Published Component Section
Resolute release universe misc

Downloads

File Size SHA-256 Checksum
parmed_4.3.1+dfsg-1.dsc 2.3 KiB aed8b2c6753e6145e33e57711d03cf4ade0c1344293d5e76d832dccc19aee82f
parmed_4.3.1+dfsg.orig.tar.xz 46.1 MiB 89daaaf540ec1eee737a067b0c3a24127b3842baeb39c595cac725f3d5e9a71e
parmed_4.3.1+dfsg-1.debian.tar.xz 7.2 KiB 0c80e5253002591c3ade2154cb2c01705fcbaead2911bbd5e0cbd19bce192c0c

Available diffs

No changes file available.

Binary packages built by this source

python3-parmed: parameter and topology file editor and molecular mechanical simulator

 ParmEd is a package designed to facilitate creating and easily manipulating
 molecular systems that are fully described by a common classical force field.
 Supported force fields include Amber, CHARMM, AMOEBA, and several others that
 share a similar functional form (e.g., GROMOS).
 .
 ParmEd is capable of reading and writing to a wide array of different file
 formats, like the Amber topology and coordinate files, CHARMM PSF, parameter,
 topology, and coordinate files, Tinker parameter, topology, and coordinate
 files, and many others. The expressive central data structure (the 'Structure'
 class) makes it easy to quickly and safely manipulate a chemical system, its
 underlying topology, and force field parameters describing its potential energy
 function.
 .
 There are two parts of ParmEd -- a documented API that one can incorporate into
 their own Python scripts and programs, and a GUI/CLI pair of programs that
 provides a means to quickly perform various modifications to chemical systems
 for rapid prototyping.
 .
 The API also provides bindings to the OpenMM library, permitting one to carry
 out full molecular dynamics investigations using ParmEd on high-performant
 hardware, like AMD and NVidia GPUs.

python3-parmed-dbgsym: debug symbols for python3-parmed