#include #include //#include #include using namespace clipper; using namespace clipper::data32; int main(int argc, char** argv) { CCP4MTZfile file; HKL_info mydata; HKL_data myfsig(mydata); file.open_read(argv[1]); file.import_hkl_info( mydata, false ); file.import_hkl_data( myfsig, argv[2] ); Spacegroup sp = file.spacegroup(); file.close_read(); file.open_append(argv[1],"junk1.mtz"); file.export_hkl_data( myfsig, "*/*/anom"); file.close_append(); file.open_write("junk2.mtz"); file.export_hkl_info( mydata ); file.export_hkl_data( myfsig, "*/*/anom"); file.close_write(); sp.debug(); }