Commit 7cd97ea7 by Maarten L. Hekkelman

fix writing files without residues

parent ff447e7b
......@@ -318,6 +318,13 @@ void annotateDSSP(mmcif::Structure& structure, const mmcif::DSSP& dssp, std::ost
{
auto& db = structure.getFile().data();
if (dssp.empty())
{
if (cif::VERBOSE)
std::cout << "No secondary structure information found" << std::endl;
}
else
{
// replace all struct_conf and struct_conf_type records
auto& structConfType = db["struct_conf_type"];
structConfType.clear();
......@@ -429,9 +436,9 @@ void annotateDSSP(mmcif::Structure& structure, const mmcif::DSSP& dssp, std::ost
foundTypes[id] = 1;
}
}
}
db.add_software("dssp " VERSION, "other", get_version_nr(), get_version_date());
db.write(os);
// cif::File df;
......
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