comp_kernels_all {conmolfields}R Documentation

Computes CMF kernel matrices for the combined set of molecules

Description

Computes CMF kernel matrices for the combined set of molecules

Usage

comp_kernels_all(all_fname = "ligands-all.mol2", kernels_all_fname = "ligands-kernels-all.RData", ...)

Arguments

all_fname
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", kernels_all_fname = "ligands-kernels-all.RData", 
    ...) 
{
    comp_kernels_train(train_fname = all_fname, kernels_train_fname = kernels_all_fname, 
        ...)
  }

[Package conmolfields version 0.0-19 Index]