diff options
Diffstat (limited to 'src')
-rw-r--r-- | src/cell.c | 3 |
1 files changed, 2 insertions, 1 deletions
@@ -801,12 +801,13 @@ static void cell_set_pointgroup_from_pdb(UnitCell *cell, const char *sym) if ( strcmp(sym, "P 63") == 0 ) new = "6"; if ( strcmp(sym, "P 21 21 21") == 0 ) new = "222"; + if ( strcmp(sym, "P 43 21 2") == 0 ) new = "422"; if ( new != NULL ) { free(cell->pointgroup); cell->pointgroup = strdup(new); } else { - ERROR("Can't determine point group for space group %s\n", sym); + ERROR("Can't determine point group for '%s'\n", sym); } } |