Hi Maxime,
I would like to alter the neutron scattering table for phenix.refine so that it takes into account the correct bcoherent value for the metal isotope present in my structure. the difference is significative between the natural occurence bcoh... i have been looking around in chem_data but could not find the neutron scattering tables. does anyone have any idea where to look please?
cctbx_project/cctbx/eltbx/neutron.cpp Note, this is c++ file, so once you change it you will have to recompile everything for the change to take effect. Could you please provide more details and explain what the problem is? Also, it's best if you send me actual example (off mailing list, to my email directly): data and model files. I believe this can be solved on our (Phenix developers) side so that you or others never need to alter the code again to address this problem. Pavel