Merge pull request #7 from haddocking/rvhonorato-patch-1

Add try/except to catch non standard residues
haddocking · Apr 6, 2021 · 5382a32 · 5382a32
2 parents 2da728a + 7e6d30d
commit 5382a32
Showing 1 changed file with 3 additions and 3 deletions.
diff --git a/bin/whiscy2bfactor.py b/bin/whiscy2bfactor.py
@@ -51,10 +51,10 @@ def parse_whiscy_scores(file_name):
             for line in input:
                 line = line.rstrip(os.linesep)
                 if line and line.startswith("ATOM  "):
-                    res = STANDARD_TYPES[line[17:20].strip()]
-                    res_num = line[22:26].strip()
-                    res_id = "{}{}".format(res, res_num)
                     try:
+                        res = STANDARD_TYPES[line[17:20].strip()]
+                        res_num = line[22:26].strip()
+                        res_id = "{}{}".format(res, res_num)
                         score = scores[res_id]
                         if args.norm:
                             # Normalized Score = 100 * WHISCYSCORE + 50