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packmol package

packmol 18.169-1 source package in Ubuntu

Changelog

packmol (18.169-1) unstable; urgency=medium

  * Initial release (Closes: #941726)

 -- Drew Parsons <email address hidden>  Tue, 15 Oct 2019 01:36:01 +0800

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

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packmol_18.169-1.dsc 1.9 KiB 2f9ef75469109b57dcb31f89a43eb52782e7499aba3f60cc69dedc3870bb9534
packmol_18.169.orig.tar.gz 166.0 KiB 1108819651331a193d427992be1e0276273064e2149614f5032990070b2e8550
packmol_18.169-1.debian.tar.xz 2.5 KiB 6923f6cb35710da620fda10e815b35cfbc9209f4cabefb0dc646447ca28d498c

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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