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Commit 2447ee5b authored by Ansgar Philippsen's avatar Ansgar Philippsen
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fixed alt_loc mechanics in pdb_reader for quack_mode

parent 68cd4e85
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...@@ -773,7 +773,7 @@ void PDBReader::ParseAndAddAtom(const StringRef& line, int line_num, ...@@ -773,7 +773,7 @@ void PDBReader::ParseAndAddAtom(const StringRef& line, int line_num,
assert(curr_residue_.IsValid()); assert(curr_residue_.IsValid());
} }
// finally add atom // finally add atom
LOG_DEBUG("adding atom " << aname << " (" << s_ele << ") @" << apos); LOG_DEBUG("adding atom " << aname << " (" << s_ele << " '" << alt_loc << "'" << ") @" << apos);
mol::AtomHandle ah; mol::AtomHandle ah;
if (curr_residue_.GetName()!=res_name.str()) { if (curr_residue_.GetName()!=res_name.str()) {
if (!profile_.fault_tolerant && alt_loc==' ') { if (!profile_.fault_tolerant && alt_loc==' ') {
...@@ -798,7 +798,7 @@ void PDBReader::ParseAndAddAtom(const StringRef& line, int line_num, ...@@ -798,7 +798,7 @@ void PDBReader::ParseAndAddAtom(const StringRef& line, int line_num,
return; return;
} }
} }
if (alt_loc!=' ') { if (!profile_.quack_mode && alt_loc!=' ') {
// Check if there is already a atom with the same name. // Check if there is already a atom with the same name.
mol::AtomHandle me=curr_residue_.FindAtom(aname); mol::AtomHandle me=curr_residue_.FindAtom(aname);
if (me.IsValid()) { if (me.IsValid()) {
......
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