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?

#5854
Anonymous

    My reading of the current code is that the content of the second, third, eighth, and ninth columns (the particular number of the remark line, both ‘MATCH’es and ‘MOTIF’) are ignored except for their presence, and anything past the 13th column is ignored completely.

    That’s not to say they won’t be used in the future (or weren’t used in the past), so I’d recommend you keep them like the example in the manual to best ensure compatibility going forward.