Fri, 27 May 2022 21:51:07 UTC

Information for RPM packmol-1.1.2.023-1.fc17.src.rpm

ID2917875
Namepackmol
Version1.1.2.023
Release1.fc17
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 Time2012-01-23 13:40:54 GMT
Size105.25 KB
ab37176c9b03562e4948380dc6774fe9
LicenseGPLv2+
Buildrootf17-build-1249754-197719
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-1.1.2.023.tar.gz100.54 KB
packmol-CMakeLists.txt1.44 KB
packmol.spec2.17 KB
Component of No Buildroots