S5 Ser and Thr

deGrootLab · Oct 1, 2024 · f225ade · f225ade
1 parent 6e057c0
commit f225ade
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Showing 4 changed files with 44,771 additions and 3 deletions.
diff --git a/Sfilter/__init__.py b/Sfilter/__init__.py
@@ -6,4 +6,4 @@
 from .util import kinetics
 from .util import Langevin
 
-__version__ = '0.7.0'
+__version__ = '0.7.1'
diff --git a/Sfilter/sfilter.py b/Sfilter/sfilter.py
@@ -33,14 +33,14 @@ def detect_SF(u, SF_seq1, SF_seq2=None):
             S12 += u.residues[i + 2].atoms.select_atoms("name O")
             S23 += u.residues[i + 1].atoms.select_atoms("name O")
             S34 += u.residues[i + 0].atoms.select_atoms("name O")
-            S45 += u.residues[i + 0].atoms.select_atoms("name OG1")
+            S45 += u.residues[i + 0].atoms.select_atoms("name OG*")
         if len(SF_seq2) == 5 and residue_sequence == SF_seq2:
             S00 += u.residues[i + 4].atoms.select_atoms("name O")
             S01 += u.residues[i + 3].atoms.select_atoms("name O")
             S12 += u.residues[i + 2].atoms.select_atoms("name O")
             S23 += u.residues[i + 1].atoms.select_atoms("name O")
             S34 += u.residues[i + 0].atoms.select_atoms("name O")
-            S45 += u.residues[i + 0].atoms.select_atoms("name OG1")
+            S45 += u.residues[i + 0].atoms.select_atoms("name OG*")
     for name, s in zip(("S00", "S01", "S12", "S23", "S34", "S45"),
                        (S00, S01, S12, S23, S34, S45)):
         if len(s) != 4: