From 9a8d1c87935ff42f6f1dbeb73aa7d0406813789b Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Mon, 1 Aug 2022 10:03:39 +0200
Subject: [PATCH] bugfix: correct chem class in standard compounds
---
modules/conop/src/standard_compounds.cc | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/modules/conop/src/standard_compounds.cc b/modules/conop/src/standard_compounds.cc
index 5d9f21c90..8d6072108 100644
--- a/modules/conop/src/standard_compounds.cc
+++ b/modules/conop/src/standard_compounds.cc
@@ -1133,7 +1133,7 @@ CompoundPtr MakeGCompound() {
CompoundPtr MakeTCompound() {
CompoundPtr c( new Compound("T"));
c->SetOneLetterCode('T');
- c->SetChemClass(mol::ChemClass('S'));
+ c->SetChemClass(mol::ChemClass('R'));
c->SetChemType(mol::ChemType('U'));
c->SetFormula("C10 H15 N2 O8 P");
AtomSpec atoms[] = {
--
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