non standard inchi in IndigoInchi plugin

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Karen Karapetyan

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Sep 18, 2012, 3:16:22 PM9/18/12
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I was wondering if it is possible to generate not standard inchi with  IndigoInchi plugin.

Ken

Mikhail Rybalkin

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Sep 24, 2012, 9:30:42 AM9/24/12
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Hello Karapetyan ,

Indigo has an options that are passed to the InChI plugin:

indigo.setOption("inchi-options", "/DoNotAddH /SUU /SLUUD")

You can pass any other options.

I found that InChI has a strange requirement to pass options with a '/' prefix on Windows, and with a '-' prefix on Linux. So if you are working on Linux you have to do the following:

indigo.setOption("inchi-options", "-DoNotAddH -SUU -SLUUD")

In the next version we are going to change the option string automatically.

With best regards,
Mikhail
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