From 2c0520571aed79f3662e44fe6a1b8deb69b10f8b Mon Sep 17 00:00:00 2001 From: "Maarten L. Hekkelman" Date: Tue, 21 Apr 2026 12:25:26 +0200 Subject: [PATCH] Write full ID in legacy output --- libdssp/src/dssp-io.cpp | 2 +- libdssp/src/dssp.cpp | 10 +++------- 2 files changed, 4 insertions(+), 8 deletions(-) diff --git a/libdssp/src/dssp-io.cpp b/libdssp/src/dssp-io.cpp index b6d0ff0..dd6bd16 100644 --- a/libdssp/src/dssp-io.cpp +++ b/libdssp/src/dssp-io.cpp @@ -165,7 +165,7 @@ void writeDSSP(const dssp &dssp, std::ostream &os) version.insert(version.end(), 10 - version.length(), ' '); os << "==== Secondary Structure Definition by the program DSSP, NKI version " << version << " ==== DATE=" << std::put_time(tm, "%F") << " .\n" - << "REFERENCE M.L. HEKKELMAN ET AL, PROTEIN SCIENCE 34.8 (2025) e70208; W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637    .\n" + << "REFERENCE M.L. HEKKELMAN ET AL, PROTEIN SCIENCE 34.8 (2025) e70208; W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 .\n" << dssp.get_pdb_header_line(dssp::pdb_record_type::HEADER) << ".\n" << dssp.get_pdb_header_line(dssp::pdb_record_type::COMPND) << ".\n" << dssp.get_pdb_header_line(dssp::pdb_record_type::SOURCE) << ".\n" diff --git a/libdssp/src/dssp.cpp b/libdssp/src/dssp.cpp index 313adc5..84645c5 100644 --- a/libdssp/src/dssp.cpp +++ b/libdssp/src/dssp.cpp @@ -1783,18 +1783,14 @@ std::string DSSP_impl::GetPDBHEADERLine() // 0 1 2 3 4 5 6 7 8 // HEADER xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxDDDDDDDDD IIII char header[] = - "HEADER xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxDDDDDDDDD IIII "; + "HEADER xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxDDDDDDDDD IIII "; std::ranges::copy(keywords, header + 10); std::ranges::copy(date, header + 50); std::string id = mDB.name(); - if (id.starts_with("pdb_")) - id.erase(0, 4); - if (id.length() < 4) - id.insert(id.end(), 4 - id.length(), ' '); - else if (id.length() > 8) - id.erase(id.begin() + 8, id.end()); + if (id.length() > 18) + id.erase(id.begin() + 18, id.end()); std::ranges::copy(id, header + 62);