Dear Crystallographers, it has been my experience that homology modelling programs get folds pretty well, but sometimes the details are pretty obviously bad, like too-close contacts. One might think that the modelling software would put in a sort of "polishing" step, but they don't seem to. Is there any way to trick the CCP4 or other software to fix these things, such as by simulated annealing or otherwise, I guess without any weight on the [non-existent] structure factors?
Thanks, Jacob -- ******************************************* Jacob Pearson Keller, PhD Postdoctoral Associate HHMI Janelia Farms Research Campus email: [email protected] *******************************************
