Found out a way to do it. Copy the list of smiles and use ChemDraw Excel to
run it...
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(This question is probably better suited to openbabel-discuss rather than
devel)
Just type "MW formula" into the box "Append properties or descriptors to
title". A list of available properties is in the menu under Plugins,
Descriptors.
On 16 August 2017 at 07:23, RicardoMBorges via
Dear all,
I'm looking for a way to convert a series of .mol/.cdxml files into SMILES
to add as a column in a .csv file (I can do it with openbabel GUI easy) but
it would very helpful if I could also append molecular formula and molecular
weight to SMILES format list aside from the filename tile
Is
