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Export Side vs Main Chain Contact Information to Text File #74

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RMCrean opened this issue Jan 13, 2021 · 0 comments
Open

Export Side vs Main Chain Contact Information to Text File #74

RMCrean opened this issue Jan 13, 2021 · 0 comments

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@RMCrean
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RMCrean commented Jan 13, 2021

Hello,

In the PyContact GUI, each contact identified is colour coded based on whether each residue uses its side or main chain. However, when I go to export this data to a text file this information is lost. Would it be possible to preserve this information in the output file with perhaps a simple addition to the outputted label of each contact?
e.g. something like: [rest of label]MC_SC would define residue 1 main chain to residue 2 side chain?

I know I could look back to the GUI to figure the type out for a specific interaction, but I am currently using pycontact to export all contacts (to then use as features for machine learning), so this capability would be very useful if possible/you have time.

Thanks!

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