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The InChI program has many flags both in the GUI (wInChI-1) and the command line (cInChI-1). Can they affect the generated InChI?

April 26, 2017affect Command flags GUI inchi line program

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The InChI program has many flags both in the GUI (wInChI-1) and the command line (cInChI-1). Can they affect the generated InChI?

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Yes. We detail the cases below. There are two sorts: • those that affect the InChI • SAbs, SRel, SRac, SUCF, SNon, SUU, NEWPS – affect stereochemical layer • RecMet – affects metal bonding • FixedH, NoADP, DoNotAddH – hydrogens and specification of particular tautomer • Compress – produce compressed InChI • those that affect the running, display, destination, etc. but not the InChI You can toggle all of the above options in cInChI-1 (the command line application) but you cannot toggle SUU, Compress and DoNotAddH in wInChI-1 (the Windows application). Note that all flags modify the InChI by appending layers, not be altering the core InChI.