Handle cases with RMSD is greater than 100 - this causes the RMSD col…

…umn and the Z column of the DALI file to merge...
jnoms · May 16, 2024 · 0ea4a15 · 0ea4a15
1 parent 188b76c
commit 0ea4a15
Showing 1 changed file with 8 additions and 1 deletion.
diff --git a/sat/scripts/aln_parse_dali.py b/sat/scripts/aln_parse_dali.py
@@ -105,7 +105,14 @@ def aln_parse_dali_main(args):
 
             # Otherwise, we're at alignments
             line = line.split()
-            _, chain, z, rmsd, alnlen, tlen, pident, *_ = line
+            try:
+                _, chain, z, rmsd, alnlen, tlen, pident, *_ = line
+            except ValueError:
+                msg = (
+                    f"Failed to parse LINE: {line}. This probably happened because the"
+                    "RMSD is above 100 so its column merged with z score column."
+                )
+                print(msg)
 
             # Removing the chain identifier (-A for chain A, etc)
             target_id = chain[:-2]