Can I get the fp from a concatenated dataframe ?

[Lili-Cao]

Hi,
I am trying to generate a barcode plot for interactions for a set of complexes.
I made a concatenated dataframe, which is very similar to the one in the tutorial for docking poses section. However, since I am not analysing all the poses, I didn't have a fp object contain all fps. Therefore, I am not able to use the fp.plot_barcode()
function.

Instead I get this error "Please run the fingerprint analysis before attempting to display results." which I could understood.

I am wondering, is there a way to get fps from a concatenated dataframe? So I can make the barcode plot?

Thanks!
Lili

[cbouy]

Hi,

You can directly use the Barcode class for this (used by fp.plot_barcode under the hood):

from prolif.plotting.barcode import Barcode

barcode = Barcode(concatenated_df)
barcode.display()

[Lili-Cao]

Thank you!