Sat, 05 Dec 2020 09:24:35 UTC

Information for RPM packmol-15.217-5.fc27.src.rpm

ID10723109
Namepackmol
Version15.217
Release5.fc27
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 Time2017-08-04 07:22:20 GMT
Size115,115
971cbe4ffffdf083ae899b111a91a3cc
LicenseGPLv2+
Buildrootf27-build-9420288-774552
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-15.217.tar.gz104,468
packmol-CMakeLists.txt1,181
packmol.spec3,980
Component of No Buildroots