Importing lists of peptides using SkylineRunner.exe / CMD

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Importing lists of peptides using SkylineRunner.exe / CMD Jonas Becker  2024-09-09 08:25
 

Dear Sykline-Team and Community,

I'm looking for help in streamlining some skyline analysis using the SkylineRunner.exe / command line version.

I have a list of peptides in txt format (peptides.txt file attached). Is there any possibility to add these peptides to the Skyline document using SkylineRunner.exe? When analyzing the data using the GUI, I just copy them into the target list which creates a "peptides1" entry with all of the peptides - something similar would be needed.

I do have a spectral library for all the peptides in "peptides.txt" which I add using --add-library-path, peak boundaries from a search engine which I add using --import-peak-boundaries and a custom report which I can also create using --report-add. The only thing missing to have this completely in CMD is adding the peptides to the document.

Additionally, I add the corresponding raw files using --import-file and --import-replicate-name, i.e.

"SkylineRunner.exe" ^
--in="test.sky" ^
--import-file="condition_untreated1_20220522.raw" ^
--import-replicate-name="untreated" ^
--import-file="condition_treated1_20220522.raw" ^
--import-replicate-name="+treatment_1" ^
--out="id_all.sky"

However when doing this, the two rawfile end up both in the replicate "+treatment_1". How to have them in separate replicates as defined in the command? When I run the imports after each other, it works fine.

Thanks in advance for you help!
Jonas

 
 
Nick Shulman responded:  2024-09-09 14:30

To import a list of peptides like that on the command line, you would use the "--import-pep-list" command line argument.

It sounds like you are only effectively allowed to specify "--import-replicate-name" once on the command line.
If you want to import two different .raw files and specify a different replicate name for each of them, then it might be that you should use the "--batch-commands" command line argument to specify a text file which has the following two lines in it:

--import-file="condition_untreated1_20220522.raw" --import-replicate-name="untreated"
--import-file="condition_treated1_20220522.raw" --import-replicate-name="+treatment_1" 

I am not an expert on the "--batch-commands" command line argument, so it is possible that I am mistaken about how it works.

If things still are not working for you, you could send us your files and we could try to figure out what is going wrong.
Files which are less than 50MB can be attached to these support requests. For larger files, you can zip everything up and upload it here:
https://skyline.ms/files.url
-- Nick