Description Usage Arguments Examples
cmf_calc_mdb_mopac
1 2 3 4 | cmf_calc_mdb_mopac(
mdb_fname = "ligands-train.mol2",
mopac_res_fname = "ligands-mopac-res-train.RData",...
)
|
mdb_fname |
"ligands-train.mol2" |
mopac_res_fname |
"ligands-mopac-res-train.RData" |
... |
1 2 3 4 5 6 7 8 9 10 11 12 | ##---- Should be DIRECTLY executable !! ----
##-- ==> Define data, use random,
##-- or do help(data=index) for the standard data sets.
## The function is currently defined as
cmf_calc_mdb_mopac <- function(
mdb_fname = "ligands-train.mol2",
mopac_res_fname = "ligands-mopac-res-train.RData",
...
)
{
}
|
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