From 7d7f31a1eb21232f52ac215902e4da22df5ed907 Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Fri, 30 Jul 2021 21:39:11 +0200
Subject: [PATCH] process all _struct_conf_type.id in mmcif_pdbx_v50.dic
---
modules/io/src/mol/mmcif_reader.cc | 6 ++++++
modules/io/src/mol/mmcif_reader.hh | 3 ++-
2 files changed, 8 insertions(+), 1 deletion(-)
diff --git a/modules/io/src/mol/mmcif_reader.cc b/modules/io/src/mol/mmcif_reader.cc
index e2f67b119..0fb3c18d5 100644
--- a/modules/io/src/mol/mmcif_reader.cc
+++ b/modules/io/src/mol/mmcif_reader.cc
@@ -1312,6 +1312,12 @@ MMCifReader::MMCifSecStructElement MMCifReader::DetermineSecStructType(
else if (type == StringRef("STRN", 4)) {
return MMCIF_STRAND;
}
+ else if (type == StringRef("BEND", 4)) {
+ return MMCIF_COIL;
+ }
+ else if (type == StringRef("OTHER", 5)) {
+ return MMCIF_COIL;
+ }
throw IOException(this->FormatDiagnostic(STAR_DIAG_ERROR,
"Unknown secondary structure class found: "+
diff --git a/modules/io/src/mol/mmcif_reader.hh b/modules/io/src/mol/mmcif_reader.hh
index c6e2e32fd..3d10f03d4 100644
--- a/modules/io/src/mol/mmcif_reader.hh
+++ b/modules/io/src/mol/mmcif_reader.hh
@@ -342,7 +342,8 @@ protected:
typedef enum {
MMCIF_HELIX,
MMCIF_STRAND,
- MMCIF_TURN
+ MMCIF_TURN,
+ MMCIF_COIL
} MMCifSecStructElement;
/// \brief Check whether an element was classified sheet or helix
--
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