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Commit 34d990ed authored by Marco Biasini's avatar Marco Biasini
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do the right thing for incomplete structures

parent 341dcd72
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...@@ -92,22 +92,19 @@ std::pair<long int, long int> calc_overlap1(const ResidueRDMap& res_distance_lis ...@@ -92,22 +92,19 @@ std::pair<long int, long int> calc_overlap1(const ResidueRDMap& res_distance_lis
continue; continue;
} }
} }
ResidueView rv2=mdl_chain.FindResidue(second_atom.GetResNum());
AtomView av2=mdl_chain.FindAtom(second_atom.GetResNum(),second_atom.GetAtomName());
overlap.second+=tol_list.size(); overlap.second+=tol_list.size();
int rindex1=0, rindex2=0; int rindex2=0;
if (av1) { int rindex1=mdl_res.GetIndex();
rindex1=av1.GetResidue().GetIndex(); if (!only_fixed)
if (!only_fixed) overlap_list[rindex1].second+=tol_list.size();
overlap_list[rindex1].second+=tol_list.size(); if (!rv2) {
} continue;
if (av2) {
rindex2=av2.GetResidue().GetIndex();
if (!only_fixed)
overlap_list[rindex2].second+=tol_list.size();
} }
rindex2=rv2.GetIndex();
if (!only_fixed)
overlap_list[rindex2].second+=tol_list.size();
AtomView av2=rv2.FindAtom(second_atom.GetAtomName());
if (!(av1 && av2)) { if (!(av1 && av2)) {
continue; continue;
} }
......
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