diff --git a/modules/mol/alg/src/sec_struct.cc b/modules/mol/alg/src/sec_struct.cc index 1687726d0f8503e5a49526dc5cd660e192b60b56..0c1fd6465f1cdcb22b887b985587a4096eadbc5d 100644 --- a/modules/mol/alg/src/sec_struct.cc +++ b/modules/mol/alg/src/sec_struct.cc @@ -455,7 +455,7 @@ String RawEstimateSS(const std::vector<geom::Vec3>& ca_positions, const std::vector<int>& donor_for_two, const std::vector<int>& connected_to_next) { - if(size < 3){ + if(size < 1){ throw ost::Error("Size of input is too small!in dssp calculation"); } @@ -536,7 +536,7 @@ void PrepareSSData(const ost::mol::ResidueViewList& res_list, if(res_list[res_indices[i]].GetChain() == res_list[res_indices[i+1]].GetChain() && - geom::Distance(c_positions[i], n_positions[i+1]) <= 2.5) { + geom::Length2(n_positions[i+1] - c_positions[i]) <= 6.25) { connected_to_next.push_back(1); } else {