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This commit is contained in:
Maarten L. Hekkelman
2023-05-31 15:56:50 +02:00
parent 2e8a52949e
commit f2cfe28458
1 changed files with 3 additions and 2 deletions
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README.md
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@@ -21,6 +21,7 @@ int main(int argc, char *argv[])
if (argc != 2)
exit(1);
// Read file, can be PDB or mmCIF and can even be compressed with gzip.
cif::file file = cif::pdb::read(argv[1]);
if (file.empty())
@@ -39,8 +40,8 @@ int main(int argc, char *argv[])
for (const auto &[asym, comp, seqnr] :
atom_site.find<std::string, std::string, int>(
cif::key("label_atom_id") == "OXT", "label_asym_id", "label_comp_id",
"label_seq_id"))
cif::key("label_atom_id") == "OXT",
"label_asym_id", "label_comp_id", "label_seq_id"))
{
std::cout << asym << ' ' << comp << ' ' << seqnr << std::endl;
}