Member Site Forums Rosetta 3 Rosetta 3 – Applications How to define pi-pi stacking in cst file? Reply To: How to define pi-pi stacking in cst file?


    if you care to know, the second column is dictated by pdb format for the REMARK records, where characters 7-10 (or something like that) need to be a number. the old rosetta++ code did not honor official pdb format, and the r++ matcher spit out ‘REMARK BACKBONE TEMPLATE’. if these files were read in by mini, they were chopped to REMARK 0 BONE TEMPLATE. i finally changed the mini matcher to spit out some number for the remark, but i had to keep the number of columns constant to ensure backwards compatibility.
    the last column relates to a not yet published/documented feature, where multiple geometries can be specified within one cstfile block.