Reads file in sdf format.

read_sdf(filename, coord, prop, to_numeric, delete_expl_hydr)

Arguments

filename

the name of the sdf file to be read

coord

whether to read coordinates of atoms; default:TRUE

prop

whether to read property values; default:TRUE

to_numeric

whether to convert property values to numbers; default:FALSE

delete_expl_hydr

whether to delete explicit hydrogens; default:FALSE

Value

Molecular database

Examples

## Load sdf file
# NOT RUN { mdb <- read_sdf("fname.sdf") # }