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| Name: packmol | Distribution: Fedora Project |
| Version: 1.1.2.023 | Vendor: Fedora Project |
| Release: 1.fc15 | Build date: Mon Jan 23 15:01:51 2012 |
| Group: Applications/Engineering | Build host: x86-10.phx2.fedoraproject.org |
| Size: 369958 | Source RPM: packmol-1.1.2.023-1.fc15.src.rpm |
| Packager: Fedora Project | |
| Url: http://www.ime.unicamp.br/~martinez/packmol/ | |
| Summary: Packing optimization for molecular dynamics simulations | |
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.
GPLv2+
* Mon Jan 23 2012 Jussi Lehtola <jussilehtola@fedoraproject.org> - 1.1.2.023-1 - Update to 1.1.2.023. * Sat Jan 21 2012 Jussi Lehtola <jussilehtola@fedoraproject.org> - 1.1.2.017-1 - Update to 1.1.2.017. * Tue Sep 27 2011 Jussi Lehtola <jussilehtola@fedoraproject.org> - 1.1.1.258-1 - Initial release.
/usr/bin/packmol /usr/bin/packmol_solvate /usr/share/doc/packmol-1.1.2.023 /usr/share/doc/packmol-1.1.2.023/AUTHORS /usr/share/doc/packmol-1.1.2.023/COPYING /usr/share/doc/packmol-1.1.2.023/LICENSE
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Fabrice Bellet, Mon May 13 06:28:23 2013