obabel -Hinchi lists the options. Read option 'n' will do it.
obabel -:"InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3 Noel" -iinchi -osmi -an
CCO Noel
More importantly, do not convert InChIs to SMILES without understanding the
caveats. InChI is not a storage format for chemical structures.
Regards,
Noel
Dear Sivani,
Maybe, put all the identifiers in a new file using shell commands:
$ obabel input.inchi -O output.smi
$ cut -f2 input.inchi > input.names
If the obabel conversion doesn't remove any line, it should be safe
to use the following unix command:
$ paste output.smi input.names > named_o
Hello,
I am trying to generate a SMILES notation from standardized InChIs. I have a
long list of chemicals and would like to retain an identifier in the output
file like you do when parsing other conversions.
I've tried a few different ways of doing this based on the documentation, but
the ide
