diff options
-rw-r--r-- | src/cell.c | 1 |
1 files changed, 1 insertions, 0 deletions
@@ -762,6 +762,7 @@ static void cell_set_pointgroup_from_pdb(UnitCell *cell, const char *sym) char *new = NULL; if ( strcmp(sym, "P 63") == 0 ) new = "6"; + if ( strcmp(sym, "P 21 21 21") == 0 ) new = "222"; if ( new != NULL ) { free(cell->pointgroup); |