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Summary: Review Request: packmol - Packing optimization for molecular dynamics
simulations
https://bugzilla.redhat.com/show_bug.cgi?id=741626
Summary: Review Request: packmol - Packing optimization for
molecular dynamics simulations
Product: Fedora
Version: rawhide
Platform: All
OS/Version: Linux
Status: NEW
Severity: medium
Priority: medium
Component: Package Review
AssignedTo: nobody(a)fedoraproject.org
ReportedBy: jussi.lehtola(a)iki.fi
QAContact: extras-qa(a)fedoraproject.org
CC: notting(a)redhat.com,
package-review(a)lists.fedoraproject.org
Classification: Fedora
Story Points: ---
Type: ---
Spec URL:
http://theory.physics.helsinki.fi/~jzlehtol/rpms/packmol.spec
SRPM URL:
http://theory.physics.helsinki.fi/~jzlehtol/rpms/packmol-1.1.1.258-1.fc15...
Upstream URL:
http://www.ime.unicamp.br/~martinez/packmol/
Description:
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.
rpmlint output:
packmol.src: W: spelling-error %description -l en_US lamellar -> Carmella,
Mallarme, Marcella
packmol.src:58: W: macro-in-comment %{buildroot}
packmol.src:58: W: macro-in-comment %{_bindir}
packmol.src:68: W: macro-in-comment %{_bindir}
packmol.x86_64: W: spelling-error %description -l en_US lamellar -> Carmella,
Mallarme, Marcella
packmol.x86_64: W: no-manual-page-for-binary packmol
packmol.x86_64: W: no-manual-page-for-binary packmol_solvate
3 packages and 0 specfiles checked; 0 errors, 7 warnings.
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