sirius-ms / sirius

SIRIUS is a software for discovering a landscape of de-novo identification of metabolites using tandem mass spectrometry. This repository contains the code of the SIRIUS Software (GUI and CLI)
GNU Affero General Public License v3.0
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Question: how to use the Passatutto decoy generation #129

Open asmirn1 opened 10 months ago

asmirn1 commented 10 months ago

Hi,

I'm trying to run Sirius for the first time and have a few questions about it.

I want to generate decoy libraries according to this paper: https://www.nature.com/articles/s41467-017-01318-5.

After some searching online, I read the Sirius would generate a decoy library with the command:

sirius -i spectral-lib -o output formula passatutto

I was able to run it on my .mgf file and got some output (Sirius project folder). However, I'm not sure what to do next to export the decoy library to .mgf format. The tutorial doesn't say much other than the command above.

I wonder if you could help me with running the passatutto algorithm properly?

Thank you,

Alex