Member Site Forums Rosetta 3 Rosetta 3 – General How to integrate Rosetta code to my program? Reply To: How to integrate Rosetta code to my program?


    nechols: I can help you pare down your linking list if you explain to me which pieces you need. I assume you’ve got a developer version already since we hadn’t yet split core into sub-libraries for 3.2. I don’t understand what the -devel flag is doing – -ldevel doesn’t make sense (wont’ compile without -lprotocols)…

    lsg, w/r/t the scorefunction: If you want to score a Pose object, it will be easy to use Rosetta as a library. If you don’t have a Rosetta Pose, though, directly using the scorefunction will be challenging; you’ll have to call the terms individually and with not-that-friendly syntax. You’d need to implement ScoreFunction::operator() and subfunctions eval_***() to not use Pose as the interface; you may need to reimplement deeper to get away from the Rosetta Residue object as well. A workaround to consider is passing your structures through a PDB-formatted string into Rosetta for scoring (Rosetta can convert the PDB to a Pose object before scoring).