1 #include <clipper/clipper.h> 2 #include <clipper/clipper-ccp4.h> 3 //#include <clipper/clipper-ccp4.h> 4 #include <iostream> 5 6 7 8 using namespace clipper; 9 using namespace clipper::data32; 10 11 main(int argc,char ** argv)12int main(int argc, char** argv) 13 { 14 CCP4MTZfile file; 15 16 HKL_info mydata; 17 HKL_data<F_sigF> myfsig(mydata); 18 file.open_read(argv[1]); 19 file.import_hkl_info( mydata, false ); 20 file.import_hkl_data( myfsig, argv[2] ); 21 Spacegroup sp = file.spacegroup(); 22 file.close_read(); 23 24 file.open_append(argv[1],"junk1.mtz"); 25 file.export_hkl_data( myfsig, "*/*/anom"); 26 file.close_append(); 27 file.open_write("junk2.mtz"); 28 file.export_hkl_info( mydata ); 29 file.export_hkl_data( myfsig, "*/*/anom"); 30 file.close_write(); 31 32 sp.debug(); 33 } 34