comp_ind_kernels_all {conmolfields} | R Documentation |
Computes CMF kernel matrices for the combined set of molecules and indicator fields
Description
Computes CMF kernel matrices for the combined set of molecules and indicator fields
Usage
comp_ind_kernels_all(all_fname = "ligands-all.mol2", ind_kernels_all_fname = "ligands-ind-kernels-all.RData", ...)
Arguments
all_fname |
|
ind_kernels_all_fname |
|
... |
|
Examples
##---- Should be DIRECTLY executable !! ----
##-- ==> Define data, use random,
##-- or do help(data=index) for the standard data sets.
## The function is currently defined as
function (all_fname = "ligands-all.mol2", ind_kernels_all_fname = "ligands-ind-kernels-all.RData",
...)
{
comp_ind_kernels_train(train_fname = all_fname, ind_kernels_train_fname = ind_kernels_all_fname,
...)
}
[Package
conmolfields version 0.0-19
Index]