read_sdf: Read sdf-file

Description

Reads file in sdf format.

Usage

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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

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## Load sdf file
## Not run: 
mdb <- read_sdf("fname.sdf")

## End(Not run)

Questions? Problems? Suggestions? or email at ian@mutexlabs.com.

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