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?
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?