See http://openbabel.org/wiki/--append , which says that the first
character in the parameter of append is used as a delimiter between the
entries. However getting this to work with a tab seems a bit
problematical although this is platform dependent. Excel will also work
with delimiters other
Hi,
The closest I can find is the following:
obabel file.sdf -O out.smi --title "" --append name MW
That is under the presumption that the SDF fields are named name and MW, and
that the title of the compound doesn't contain the name (in which case the
options only would be --append MW).
The pr
Hi,
> I have an SDF file that has the chemical structure (in MOL), MW and
> name. Is it possible to use Openbabel to generate a tabe delimited txt
> file with the Smiles string followed by the Name and MW? The ultimate
> goal is to put the data in to Excel.
Yes, in one shot, with a small openbabe
