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cdanielmachado / smetana

SMETANA: a tool to analyse interactions in microbial communities
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Atomic weight not listed for elements #24

Closed Rachita-Kumar closed 3 years ago

Rachita-Kumar commented 3 years ago

Hi Daniel,

I'm trying to use SMETANA for a few ModelSEED models, and I was wondering if you could help me with the following issue. I used the --molweight as you had recommended it.

UserWarning: Atomic weight not listed for elements: {'R'} warn(f"Atomic weight not listed for elements: {missing}")

Thanks very much, Rachita

cdanielmachado commented 3 years ago

Hi Rachita,

That is not an error, it is just a warning that some compounds contain an "R" atom, which is not really a chemical element, it is a pseudo-code to represent a generic residue in the molecule. The software will just ignore the atomic weight of that residue. I think there is no reason to worry about this warning. The simulations should still give meaningful results.

Best regards, Daniel