diff options
Diffstat (limited to 'inst/examples/octanol.R')
| -rw-r--r-- | inst/examples/octanol.R | 4 |
1 files changed, 4 insertions, 0 deletions
diff --git a/inst/examples/octanol.R b/inst/examples/octanol.R new file mode 100644 index 0000000..91e23cf --- /dev/null +++ b/inst/examples/octanol.R @@ -0,0 +1,4 @@ +oct <- chent$new("1-octanol", smiles = "CCCCCCCCO") +oct$try_pubchem() +print(oct) +plot(oct) |