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libcifpp
Commit a78fa0a8 by Maarten L. Hekkelman
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reconstruction fixes

parent 82130be5
Showing with 1 additions and 3 deletions
src/pdb/reconstruct.cpp
...@@ -424,15 +424,13 @@ void checkAtomRecords(datablock &db) ...@@ -424,15 +424,13 @@ void checkAtomRecords(datablock &db)
int seq_id = get_seq_id(k); int seq_id = get_seq_id(k);
if (row["label_seq_id"].empty()) if (row["label_seq_id"].empty() and cf.is_monomer(comp_id))
row["label_seq_id"] = std::to_string(seq_id); row["label_seq_id"] = std::to_string(seq_id);
if (row["label_atom_id"].empty()) if (row["label_atom_id"].empty())
row["label_atom_id"] = row["auth_atom_id"].text(); row["label_atom_id"] = row["auth_atom_id"].text();
if (row["label_asym_id"].empty()) if (row["label_asym_id"].empty())
row["label_asym_id"] = row["auth_asym_id"].text(); row["label_asym_id"] = row["auth_asym_id"].text();
if (row["label_seq_id"].empty())
row["label_seq_id"] = row["auth_seq_id"].text();
if (row["label_comp_id"].empty()) if (row["label_comp_id"].empty())
row["label_comp_id"] = row["auth_comp_id"].text(); row["label_comp_id"] = row["auth_comp_id"].text();
if (row["label_atom_id"].empty()) if (row["label_atom_id"].empty())
......
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