Hi!
I am looking for a simple method to score a model from Modeller directly against raw experimental cristallography data. The idea is to use models from Modeller for molecular replacement in borderline situations - that is in situations where the standard cristallographers molecular replacement tools fail. Thus, the method should be automatic and not require hand-tuning, so that I can generate lots of different models (e.g. based on different loop refinement parameters) until I find one that does the trick. Do you know about someone who already tried this.
Thank you very much,
kind regards, Karsten.