diff options
Diffstat (limited to 'src/get_hkl.c')
| -rw-r--r-- | src/get_hkl.c | 5 |
1 files changed, 3 insertions, 2 deletions
diff --git a/src/get_hkl.c b/src/get_hkl.c index 47c6a865..37af32bb 100644 --- a/src/get_hkl.c +++ b/src/get_hkl.c @@ -195,6 +195,7 @@ int main(int argc, char *argv[]) char *filename = NULL; ReflItemList *input_items; ReflItemList *write_items; + UnitCell *cell = NULL; /* Long options */ const struct option longopts[] = { @@ -258,6 +259,7 @@ int main(int argc, char *argv[]) } mol = load_molecule(filename); + cell = load_cell_from_pdb(filename); if ( !config_nophase ) { phases = new_list_phase(); } else { @@ -319,8 +321,7 @@ int main(int argc, char *argv[]) union_items(write_items, input_items); } - write_reflections(output, write_items, ideal_ref, phases, NULL, - mol->cell); + write_reflections(output, write_items, ideal_ref, phases, NULL, cell); delete_items(input_items); delete_items(write_items); |