AmberTools
From FedoraProject
This is to help document the process to get AmberTools, a set of tools for Assisted Model Building with Energy Refinement (AMBER) into Fedora.
Bundled packages already in Fedora
| Fedora package | Version in AmberTools |
|---|---|
| arpack | 2.1 |
| blas | |
| boost | |
| byacc | |
| fftw2 | |
| gtkglext | |
| lapack | |
| libXmu | |
| libXpm | |
| netcdf | |
| readline |
Bundled packages which should be fine to put in Fedora
| Fedora package | Upstream | Review Request/Status | Version in AmberTools |
|---|---|---|---|
| cifparse | http://sw-tools.pdb.org/apps/CIFPARSE/source.html | ||
| parallel-netcdf | http://trac.mcs.anl.gov/projects/parallel-netcdf | ||
| ucpp | http://code.google.com/p/ucpp/ | ||
| Wcl | http://search.cpan.org/~jhpb/Wcl-2.7.3/ | Old review request |
Bundled packages which may be problematic to put in Fedora
| Name | Upstream | Status |
|---|---|---|
| chamber | AmberTools | non-free license? |
| libXraw | http://canonical.org/~kragen/Xraw/index.html | non-commercial clause in license |
| leap | AmberTools | non-free license? |
| reduce | http://kinemage.biochem.duke.edu/software/reduce.php | sale restriction? |
