Commit f815b858 by Maarten L. Hekkelman

accept missing SS bonds

parent 3f421f34
......@@ -1224,11 +1224,21 @@ void DSSPImpl::calculateSecondaryStructure()
auto r1 = findRes(asym1, seq1);
if (r1 == mResidues.end())
throw std::runtime_error("Invalid file, missing residue for SS bond");
{
if (cif::VERBOSE)
std::cerr << "Missing (incomplete?) residue for SS bond when trying to find " << asym1 << '/' << seq1 << std::endl;
continue;
// throw std::runtime_error("Invalid file, missing residue for SS bond");
}
auto r2 = findRes(asym2, seq2);
if (r2 == mResidues.end())
throw std::runtime_error("Invalid file, missing residue for SS bond");
{
if (cif::VERBOSE)
std::cerr << "Missing (incomplete?) residue for SS bond when trying to find " << asym2 << '/' << seq2 << std::endl;
continue;
// throw std::runtime_error("Invalid file, missing residue for SS bond");
}
mSSBonds.emplace_back(&*r1, &*r2);
}
......
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