write_sdf: Write sdf-file

In conmolfields: Continuous molecular fields

Description

Writes file in sdf format.

Usage

write_sdf(mdb, filename)

Arguments

mdb	molecular database
filename	the name of the sdf file to be written to disk

Examples

## Save sdf file
data("alkans74")
## Not run: 
write_sdf(alkans74.mdb, "fname.sdf")

## End(Not run)

conmolfields documentation built on May 2, 2019, 4:18 p.m.