Salt stripper not keeping salt fragment

[j_ochoada]

Hi Everyone,

I’m using the salt stripper node in 4.2.2 and it doesn’t seem to keep the salt fragments only the largest fragment. This is still the case when the keep largest fragment is left unchecked. Is anyone else seeing this behavior?

Thanks in advance,
Jason

[greglandrum]

I’m using the salt stripper node in 4.2.2 and it doesn’t seem to keep the salt fragments only the largest fragment. This is still the case when the keep largest fragment is left unchecked. Is anyone else seeing this behavior?

I’m not sure I understand the question. The idea of the salt stripper node is that it removes the salts from a molecule, so it’s not supposed to be keeping them.

The “keep only largest fragment” logic is applied after stripping salts. Here’s the explanation of that in the Node description:

Option to reduce the salt stripping outcome even more keeping only the largest fragment of all remaining fragments. If there are multiple fragments with the same number of atoms identified as largest fragments, it will keep only the first one it encounters.

Does that help at all?
-greg

[j_ochoada]

Hi Greg,

Thanks for the reply. I had it in my head that the salt would be a fragment that could be kept. Thanks for the clarification!

Jason