diff options
Diffstat (limited to 'src/process_hkl.c')
| -rw-r--r-- | src/process_hkl.c | 17 |
1 files changed, 1 insertions, 16 deletions
diff --git a/src/process_hkl.c b/src/process_hkl.c index beb97ce7..00e9e56c 100644 --- a/src/process_hkl.c +++ b/src/process_hkl.c @@ -55,7 +55,6 @@ static void show_help(const char *s) " -i, --input=<filename> Specify input filename (\"-\" for stdin).\n" " -o, --output=<filename> Specify output filename for merged intensities\n" " Default: processed.hkl).\n" -" -p, --pdb=<filename> PDB file to use (default: molecule.pdb).\n" "\n" " --max-only Take the integrated intensity to be equal to the\n" " maximum intensity measured for that reflection.\n" @@ -426,7 +425,6 @@ int main(int argc, char *argv[]) char *output = NULL; FILE *fh; RefList *model; - UnitCell *cell = NULL; int config_maxonly = 0; int config_startafter = 0; int config_stopafter = 0; @@ -457,7 +455,6 @@ int main(int argc, char *argv[]) {"sum", 0, &config_sum, 1}, {"scale", 0, &config_scale, 1}, {"symmetry", 1, NULL, 'y'}, - {"pdb", 1, NULL, 'p'}, {"histogram", 1, NULL, 'g'}, {"hist-parameters", 1, NULL, 'z'}, {0, 0, NULL, 0} @@ -522,17 +519,6 @@ int main(int argc, char *argv[]) output = strdup("processed.hkl"); } - if ( pdb != NULL ) { - cell = load_cell_from_pdb(pdb); - if ( cell == NULL ) { - ERROR("Failed to load cell from '%s'\n", pdb); - return 1; - } - free(pdb); - } else { - cell = NULL; - } - if ( sym_str == NULL ) sym_str = strdup("1"); sym = get_pointgroup(sym_str); free(sym_str); @@ -633,14 +619,13 @@ int main(int argc, char *argv[]) hist_nbins); } - write_reflist(output, model, cell); + write_reflist(output, model, NULL); fclose(fh); free(sym); reflist_free(model); free(output); - if ( cell != NULL ) cell_free(cell); return 0; } |