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.
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!