Ubuntu
packmol package

packmol 20.010-1 source package in Ubuntu

Changelog

packmol (20.010-1) unstable; urgency=medium

  * New upstream release.

 -- Drew Parsons <email address hidden>  Mon, 20 Jan 2020 10:49:33 +0800

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

Downloads

File Size SHA-256 Checksum
packmol_20.010-1.dsc 1.9 KiB 9cfd3476cd0982f2357908b1d680cf2b942dbfa3eb3efd6ea14d398299080c97
packmol_20.010.orig.tar.gz 166.6 KiB 23285f2a9e2bef0e8253250d7eae2d4026a9535ddcc2b9b383f5ad45b19e123d
packmol_20.010-1.debian.tar.xz 2.6 KiB f0a6f4fbcd7110e41d435e1858b0a3ae02f47384844c9145b64c4e0135dedb07

Available diffs

No changes file available.

Binary packages built by this source

packmol: Initial configurations for Molecular Dynamics Simulations

 Initial configurations for Molecular Dynamics Simulations by packing
 optimization.
 .
 Packmol creates an initial point for molecular dynamics simulations by
 packing molecules in defined regions of space. The packing guarantees
 that short range repulsive interactions do not disrupt the
 simulations.
 .
 The great variety of types of spatial constraints that can be
 attributed to the molecules, or atoms within the molecules, makes it
 easy to create ordered systems, such as lamellar, spherical or tubular
 lipid layers.
 .
 The user must provide only the coordinates of one molecule of each
 type, the number of molecules of each type and the spatial constraints
 that each type of molecule must satisfy.
 .
 The package is compatible with input files of PDB, TINKER, XYZ and
 MOLDY formats.
 .
 See http://m3g.iqm.unicamp.br/packmol for more information.
 .
 References
 .
 Please always cite one of the following references in publications for
 which Packmol was useful:
 .
 L Martinez, R Andrade, EG Birgin, JM Martinez, Packmol: A package for
 building initial configurations for molecular dynamics simulations.
 Journal of Computational Chemistry, 30, 2157-2164, 2009.
 (http://www3.interscience.wiley.com/journal/122210103/abstract)
 .
 JM Martinez, L Martinez, Packing optimization for the automated
 generation of complex system's initial configurations for molecular
 dynamics and docking. Journal of Computational Chemistry, 24, 819-825,
 2003. (http://www3.interscience.wiley.com/journal/104086246/abstract)

packmol-dbgsym: debug symbols for packmol