diff options
| -rw-r--r-- | src/indexamajig.c | 21 |
1 files changed, 11 insertions, 10 deletions
diff --git a/src/indexamajig.c b/src/indexamajig.c index 8a123aa4..f628eb29 100644 --- a/src/indexamajig.c +++ b/src/indexamajig.c @@ -449,10 +449,6 @@ int main(int argc, char *argv[]) } free(speaks); - if ( pdb == NULL ) { - pdb = strdup("molecule.pdb"); - } - if ( prefix == NULL ) { prefix = strdup(""); } else { @@ -550,13 +546,18 @@ int main(int argc, char *argv[]) } free(geometry); - cell = load_cell_from_pdb(pdb); - if ( cell == NULL ) { - ERROR("Couldn't read unit cell (from %s)\n", pdb); - return 1; + if ( pdb != NULL ) { + cell = load_cell_from_pdb(pdb); + if ( cell == NULL ) { + ERROR("Couldn't read unit cell (from %s)\n", pdb); + return 1; + } + free(pdb); + cell_print(cell); + } else { + STATUS("No unit cell given.\n"); + cell = NULL; } - free(pdb); - cell_print(cell); write_stream_header(ofh, argc, argv); |