From 65467d47559f359c75045f31f8bfeac13d96e22f Mon Sep 17 00:00:00 2001 From: Thomas White Date: Sun, 31 Oct 2010 11:24:57 +0100 Subject: Add P 43 21 2 --- src/cell.c | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) (limited to 'src/cell.c') diff --git a/src/cell.c b/src/cell.c index aaea6473..d12191a7 100644 --- a/src/cell.c +++ b/src/cell.c @@ -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); } } -- cgit v1.2.3