cmf_calc_mdb_mopac

cmf_calc_mdb_mopac(
  mdb_fname = "ligands-train.mol2",
  mopac_res_fname = "ligands-mopac-res-train.RData",...
)

Arguments

mdb_fname

"ligands-train.mol2"

mopac_res_fname

"ligands-mopac-res-train.RData"

Details

Value

References

Note

See also

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 cmf_calc_mdb_mopac <- function( mdb_fname = "ligands-train.mol2", mopac_res_fname = "ligands-mopac-res-train.RData", ... ) { }