Pass list of strings to ChainPDBSelector

salilab · Sep 29, 2023 · e250c3b · e250c3b
1 parent 141c731
commit e250c3b
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Showing 2 changed files with 4 additions and 5 deletions.
diff --git a/pyext/src/mmcif.py b/pyext/src/mmcif.py
@@ -205,7 +205,7 @@ def __init__(self, state, component, start, end, pdb_offset,
               = component, start, end, pdb_offset, pdbname
         self.state, self.chain, self.hier = state, chain, hier
         sel = IMP.atom.NonWaterNonHydrogenPDBSelector() \
-              & IMP.atom.ChainPDBSelector(chain)
+              & IMP.atom.ChainPDBSelector([chain])
         self.starting_hier = IMP.atom.read_pdb(pdbname, state.model, sel)
 
     rigid = property(lambda self: _get_fragment_is_rigid(self),

diff --git a/pyext/src/representation.py b/pyext/src/representation.py
@@ -314,7 +314,8 @@ def autobuild_model(self, name, pdbname, chain,
 
         # get the initial and end residues of the pdb
         t = IMP.atom.read_pdb(pdbname, self.model,
-                              IMP.atom.AndPDBSelector(IMP.atom.ChainPDBSelector(chain), IMP.atom.CAlphaPDBSelector()))
+                              IMP.atom.ChainPDBSelector([chain])
+                              & IMP.atom.CAlphaPDBSelector())
 
         # find start and end indexes
 
@@ -440,9 +441,7 @@ def add_component_pdb(self, name, pdbname, chain, resolutions, color=None,
                 IMP.atom.CBetaPDBSelector())
             sel = IMP.atom.AndPDBSelector(cacbsel, sel)
         if type(chain) == str:
-            sel = IMP.atom.AndPDBSelector(
-                IMP.atom.ChainPDBSelector(chain),
-                sel)
+            sel = IMP.atom.ChainPDBSelector([chain]) & sel
             t = IMP.atom.read_pdb(pdbname, self.model, sel)
 
             # get the first and last residue