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packmol package

packmol 18.169-2 source package in Ubuntu

Changelog

packmol (18.169-2) unstable; urgency=medium

  * source-only upload for testing migration

 -- Drew Parsons <email address hidden>  Sat, 16 Nov 2019 16:44:22 +0800

Upload details

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

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Series Pocket Published Component Section

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File Size SHA-256 Checksum
packmol_18.169-2.dsc 1.9 KiB 87e7f07757e64c4db6df162b345be95227bdf0c7b1b8df621c5f59bb41d2c1a1
packmol_18.169.orig.tar.gz 166.0 KiB 1108819651331a193d427992be1e0276273064e2149614f5032990070b2e8550
packmol_18.169-2.debian.tar.xz 2.6 KiB c2d053908c79022a227ddbdb2cecf6c78665288584dd35939215a170868ae464

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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