Mon, 29 Nov 2021 02:16:40 UTC

Information for RPM packmol-13.243-1.el6.src.rpm

ID4386912
Namepackmol
Version13.243
Release1.el6
Epoch
Archsrc
SummaryPacking optimization for molecular dynamics simulations
DescriptionPackmol 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.
Build Time2013-09-05 19:17:56 GMT
Size108,551
762b715e43e7c8e21902637ac9e2de0b
LicenseGPLv2+
Buildrootdist-6E-epel-build-1840957-319522
Provides No Provides
Obsoletes No Obsoletes
Conflicts No Conflicts
Requires
cmake
gcc-gfortran
rpmlib(CompressedFileNames) <= 3.0.4-1
rpmlib(FileDigests) <= 4.6.0-1
Recommends No Recommends
Suggests No Suggests
Supplements No Supplements
Enhances No Enhances
Files
1 through 3 of 3
Name ascending sort Size
packmol-13.243.tar.gz103,062
packmol-CMakeLists.txt1,476
packmol.spec2,800
Component of No Buildroots