Fixed bug in structure::changeresidue when removing atoms

975057c4 · Maarten L. Hekkelman · a0e01668 · 975057c4
Commit 975057c4 authored Nov 15, 2021 by Maarten L. Hekkelman
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src/Structure.cpp
+1 -1

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--- a/src/Structure.cpp
+++ b/src/Structure.cpp
@@ -2512,7 +2512,7 @@ void Structure::changeResidue(const Residue &res, const std::string &newCompound
 			continue;

 		if (a2.empty() or a2 == ".")
-			atomSites.erase(cif::Key("id") == i->id());
+			removeAtom(*i);
 		else if (a1 != a2)
 		{
 			auto ra = r.front();