Reads file in sdf format.
read_sdf(filename, coord, prop, to_numeric, delete_expl_hydr)
filename | the name of the sdf file to be read |
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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 |
Molecular database
## Load sdf file# NOT RUN { mdb <- read_sdf("fname.sdf") # }