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Is there salt removal implemented in there? #16

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UnixJunkie opened this issue Jan 25, 2018 · 3 comments
Open

Is there salt removal implemented in there? #16

UnixJunkie opened this issue Jan 25, 2018 · 3 comments
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@UnixJunkie
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Or is there an option to trigger it?
Thanks,
F.
@UnixJunkie
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It is in there:
https://github.com/flatkinson/standardiser

@UnixJunkie
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would be nice if the two projects join force, so that the community has access to a killer tool

@mcs07 mcs07 added the question label Feb 7, 2018
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mcs07 commented Feb 8, 2018

This should be possible with the FragmentRemover class, possibly combined with the Uncharger. There is a configurable list of SMARTS patterns for what is removed.

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@mcs07 @UnixJunkie