Commit 5f4c8e4a by Maarten L. Hekkelman

fixed dssp output

parent dd36ab4a
Subproject commit 9aebfcf15f65e3890d7c737dfc82a2ed30f64ff1
Subproject commit ca12d581c0dfc0ea8c2aa3bd779799c18e3e17b0
......@@ -165,7 +165,7 @@ void writeDSSP(const dssp::DSSP &dssp, std::ostream &os)
<< dssp.get_pdb_header_line(dssp::DSSP::pdb_record_type::SOURCE) << '.' << std::endl
<< dssp.get_pdb_header_line(dssp::DSSP::pdb_record_type::AUTHOR) << '.' << std::endl;
os << pdbx::format("%5d%3d%3d%3d%3d TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .",
os << pdbx::format("%5d%3d%3d%3d%3d TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .",
stats.count.residues, stats.count.chains, stats.count.SS_bridges, stats.count.intra_chain_SS_bridges, (stats.count.SS_bridges - stats.count.intra_chain_SS_bridges))
<< std::endl;
......
......@@ -27,13 +27,11 @@
#include <stdexcept>
#define BOOST_TEST_ALTERNATIVE_INIT_API
#include <boost/algorithm/string.hpp>
#include <boost/test/included/unit_test.hpp>
#include "DSSP.hpp"
#include "dssp_wrapper.hpp"
namespace ba = boost::algorithm;
namespace fs = std::filesystem;
// --------------------------------------------------------------------
......
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment