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-rw-r--r--src/cell.c15
1 files changed, 10 insertions, 5 deletions
diff --git a/src/cell.c b/src/cell.c
index e95a0573..67c49610 100644
--- a/src/cell.c
+++ b/src/cell.c
@@ -821,6 +821,7 @@ static void cell_set_pointgroup_from_pdb(UnitCell *cell, const char *sym)
{
char *new = NULL;
+ if ( strcmp(sym, "P 1") == 0 ) new = "1";
if ( strcmp(sym, "P 63") == 0 ) new = "6";
if ( strcmp(sym, "P 21 21 21") == 0 ) new = "222";
if ( strcmp(sym, "P 2 2 2") == 0 ) new = "222";
@@ -872,11 +873,15 @@ UnitCell *load_cell_from_pdb(const char *filename)
deg2rad(be),
deg2rad(ga));
- sym = strndup(line+55, 10);
- notrail(sym);
- cell_set_pointgroup_from_pdb(cell, sym);
- free(sym);
-
+ if ( strlen(line) > 65 ) {
+ sym = strndup(line+55, 10);
+ notrail(sym);
+ cell_set_pointgroup_from_pdb(cell, sym);
+ free(sym);
+ } else {
+ cell_set_pointgroup_from_pdb(cell, "P 1");
+ ERROR("CRYST1 line without space group.\n");
+ }
}
} while ( rval != NULL );