From 2f1b5c752921a423ff8c5ea1186b3a19e998a640 Mon Sep 17 00:00:00 2001 From: Stefan Doerr Date: Thu, 31 Aug 2023 14:01:36 +0300 Subject: [PATCH] fix CIF reader to handle dots --- moleculekit/readers.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/moleculekit/readers.py b/moleculekit/readers.py index dc88998..8292bfd 100644 --- a/moleculekit/readers.py +++ b/moleculekit/readers.py @@ -1933,7 +1933,7 @@ def CIFread(filename, frame=None, topoloc=None, zerowarning=True): dataObj = myDataList[0] def fixDefault(val, dtype): - if val == "?": + if val in ("?", "."): if dtype == float or dtype == int: val = 0 if dtype == str: