From 2447ee5bcb5c38467eee677aa0c31580d9eefc55 Mon Sep 17 00:00:00 2001
From: Ansgar Philippsen <ansgar.philippsen@gmail.com>
Date: Thu, 27 Oct 2011 10:13:23 -0400
Subject: [PATCH] fixed alt_loc mechanics in pdb_reader for quack_mode
---
modules/io/src/mol/pdb_reader.cc | 4 ++--
1 file changed, 2 insertions(+), 2 deletions(-)
diff --git a/modules/io/src/mol/pdb_reader.cc b/modules/io/src/mol/pdb_reader.cc
index faee76b2a..6fa089e2c 100644
--- a/modules/io/src/mol/pdb_reader.cc
+++ b/modules/io/src/mol/pdb_reader.cc
@@ -773,7 +773,7 @@ void PDBReader::ParseAndAddAtom(const StringRef& line, int line_num,
assert(curr_residue_.IsValid());
}
// finally add atom
- LOG_DEBUG("adding atom " << aname << " (" << s_ele << ") @" << apos);
+ LOG_DEBUG("adding atom " << aname << " (" << s_ele << " '" << alt_loc << "'" << ") @" << apos);
mol::AtomHandle ah;
if (curr_residue_.GetName()!=res_name.str()) {
if (!profile_.fault_tolerant && alt_loc==' ') {
@@ -798,7 +798,7 @@ void PDBReader::ParseAndAddAtom(const StringRef& line, int line_num,
return;
}
}
- if (alt_loc!=' ') {
+ if (!profile_.quack_mode && alt_loc!=' ') {
// Check if there is already a atom with the same name.
mol::AtomHandle me=curr_residue_.FindAtom(aname);
if (me.IsValid()) {
--
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