gen_atomlists_generic {conmolfields}R Documentation

Generate atom lists for generic molecular field

Description

Generate atom lists for generic molecular field

Usage

gen_atomlists_generic(mdb)

Arguments

mdb

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
  }

[Package conmolfields version 0.0-19 Index]