Hello Xiaogang-- > >> We are trying to use Xplor-NIH to calculate NMR structure of protein >> DNA >> complex. I notice than there is a sample files in eginput/mef_dna. But the >> scripts are not python version. Do you have python version scripts for >> protein >> DNA complex refinement? Because I am used to python version and not familiar >> with >> the old version. > > > There are some other examples of protein/DNA complex in python, like > eginputs/pre > /refine/newRefine.py, eginput/dna_refi, etc. These are from xplor-nih-2.39. > You > may take a look. >
As Qi suggested, other examples can be worked from. For refinement, a fairly standard script should work- you need to just add DNA-specific terms like base-base h-bonds, base pair planarity, ORIE and RAMA. Please let us know if you have difficulties. best regards-- Charles _______________________________________________ Xplor-nih mailing list [email protected] https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
