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Environmental Cheminformatics
plan-b
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c00f539f
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c00f539f
authored
Mar 04, 2021
by
Todor Kondic
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Update README.md
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@@ -100,4 +100,14 @@ treats collections of sratements
The above commands are used when you have a separate R script that is
being evaluated in the session. In the session itself, it's just enter
### Converting Shinyscreen MS2 files to MetFrag compatible format
Assuming
`AAs`
is the Shinyscreen project folder, to create files
compatible with MetFrag input format follow these steps:
1.
Navigate to
`AAs`
folder using
`Thunar`
file browser.
2.
Right-click somewhere on the white space in the view showing files and click on
`Open Terminal Here`
.
3.
In the terminal, type
`ls`
. Is there a
`MS2`
folder in there? If yes, then proceed.
4.
Type
`ss2mf`
. This command will create a
`MS2_forMF`
folder containing the MetFrag compatible input files.
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