Generate atom lists for generic molecular field

gen_atomlists_generic(mdb)

Arguments

mdb

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 function (mdb) { nmols <- length(mdb) atomlists <- list() for (imol in 1:nmols) { mol <- mdb[[imol]] natoms <- length(mol$atoms) atomlists[[imol]] <- 1:natoms } atomlists }
#> function (mdb) #> { #> nmols <- length(mdb) #> atomlists <- list() #> for (imol in 1:nmols) { #> mol <- mdb[[imol]] #> natoms <- length(mol$atoms) #> atomlists[[imol]] <- 1:natoms #> } #> atomlists #> } #> <environment: 0x1070d6190>