This function writes one or more molecules to an SD file on disk, which can be of the single- or multi-molecule variety. In addition, if the molecule has keyed properties, they can also be written out as SD tags.
write.molecules(mols, filename, together = TRUE, write.props = FALSE)A `list` of `jobjRef` objects representing `IAtomContainer` objects
The name of the SD file to write. Note that if `together` is `FALSE` then this argument is taken as a prefix for the name of the individual files
If `TRUE` then all the molecules are written to a single SD file. If `FALSE` each molecule is written to an individual file
If `TRUE`, keyed properties are included in the SD file output
Rajarshi Guha (rajarshi.guha@gmail.com)
In case individual SD files are desired the
together argument can be set ot FALSE. In this case, the
value of filename is used as a prefix, to which a numeric
identifier and the suffix of ".sdf" is appended.
load.molecules, parse.smiles, iload.molecules