#include #include #include #include using namespace clipper; using namespace clipper::data32; int main(int argc, char** argv) { CCP4MTZfile file; // import an mtz HKL_info mydata; HKL_data myfsig( mydata ); HKL_data myphwt( mydata ); MTZcrystal xtl; MTZdataset set; file.open_read( argv[1] ); file.import_hkl_info( mydata, false ); file.import_hkl_data( myfsig, set, xtl, "*/*/[FP SIGFP]" ); file.import_hkl_data( myphwt, set, xtl, "*/*/[PHIB FOM]" ); file.close_read(); PHSfile phs; phs.open_write( "1.phs" ); phs.export_hkl_info( mydata ); phs.export_hkl_data( myfsig ); phs.export_hkl_data( myphwt ); phs.close_write(); HKL_info mydata2( mydata.spacegroup(), mydata.cell(), mydata.resolution() ); HKL_data myfsig2( mydata2 ); HKL_data myphwt2( mydata2 ); phs.open_read( "1.phs" ); phs.import_hkl_info( mydata2 ); phs.import_hkl_data( myfsig2 ); phs.import_hkl_data( myphwt2 ); phs.close_read(); phs.open_write( "2.phs" ); phs.export_hkl_info( mydata2 ); phs.export_hkl_data( myfsig2 ); phs.export_hkl_data( myphwt2 ); phs.close_write(); }