how to resolve ties from arpeggio (or probe)?

natedey / RINRUS

Residue Interaction Network ResidUe Selector

MIT License

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how to resolve ties from arpeggio (or probe)? #17

Open Jmller56 opened 2 years ago

Jmller56 commented 2 years ago

If a tie arises in the # of interaction types w Arpeggio, rinrus could print out the filtered information in node_info.dat corresponding to the tied fragments. User could then sort based first on attractive SIFs then hydrophobic/clashing SIFs. Then could manually sort the remaining fragments by contact count. How can we automate any of this?

natedey commented 10 months ago

Can the driver be updated to scan the freq_per_res files and send warnings to the log file when there are ties in interaction type or interaction count?