Hi,
the current salt stripper is great, but when you have a very large set of compounds there can be a large number of weird and odd salts or solvents or metal complexes to the compound.
Therefore would it be possible to have an option to just remove the minor component, regardless of what it is. This can save having a custom salt list running into the hundreds.
thanks,
simon.
Hi Simon,
I think your request sounds reasonable. I discussed with Greg and we will provide some option for you soon. Should be not too much work. It would be an additional option that you can switch on, which would to its job AFTER the normal salt stripping work. And it would then just keep the largest fragment that is left. That way all minor components are stripped. But you would still be able to strip out salt componets that are LARGER than your target molecule fragment, simply using the normal salt definitions. Sounds good?
-Manuel
Brilliant, that implementation sounds even better than what I was thinking. As you say, this still allows the removal of common salts that are larger than the desired compound.
Thanks for considering,
simon.
Hi Simon,
It's Christmas time :-) - your gift is ready. Just uploaded the changes for you with the new option into the nightly community build. Please have a look and let me know if this is working for your use case.
Cheers,
Manuel
Brilliant, that is fast and works perfectly.
Many many thanks,
Simon.
ps. This is going to be extremely useful !
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