> I.e. programs would look like this > > --- > GRAB protein FROM FILE "best_model_ever.cif"; > SELECT CHAIN A FROM protein AS chA; > SET chA BFACTORS TO 30.0; > GRAB data FROM FILE "best_data_ever.cif"; > BIND protein TO data; > REFINE protein USING BUSTER WITH TLS+ANISO; > DROP protein INTO FILE "better_model_yet.cif"; > ---
This brings to mind James Holton's Elves program(s): http://bl831.als.lbl.gov/~jamesh/elves/ Phil Jeffrey Princeton
