diff --git a/CHANGELOG.txt b/CHANGELOG.txt
index 36f047b5c8b05e6590b891464511acaa650115c6..85309e718a752ec541f18893d7431bc8c455c280 100644
--- a/CHANGELOG.txt
+++ b/CHANGELOG.txt
@@ -1,3 +1,9 @@
+Changes in Release 4.3.1
+--------------------------------------------------------------------------------
+
+* Several minor bug fixes, improvements
+
+
Changes in Release 4.3.0
--------------------------------------------------------------------------------
diff --git a/CMakeLists.txt b/CMakeLists.txt
index aea5298801bba50eae5f7c4b4c4856ad45cdea20..e7d729192dec522e627cd4263c6d639ccecf7fd6 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -12,7 +12,7 @@ cmake_policy(SET CMP0060 NEW)
set (QMEAN_VERSION_MAJOR 4)
set (QMEAN_VERSION_MINOR 3)
-set (QMEAN_VERSION_PATCH 0)
+set (QMEAN_VERSION_PATCH 1)
set (QMEAN_VERSION_STRING ${QMEAN_VERSION_MAJOR}.${QMEAN_VERSION_MINOR}.${QMEAN_VERSION_PATCH} )
set(CMAKE_MODULE_PATH ${CMAKE_MODULE_PATH} ${CMAKE_SOURCE_DIR}/cmake_support)
@@ -74,7 +74,7 @@ set(PYTHON_MODULE_PATH "python${Python_VERSION_MAJOR}.${Python_VERSION_MINOR}/si
setup_boost()
-find_package(OPENSTRUCTURE 2.3.0 REQUIRED
+find_package(OPENSTRUCTURE 2.4.0 REQUIRED
COMPONENTS mol seq seq_alg mol_alg conop db)
include_directories(${Boost_INCLUDE_DIRS}
diff --git a/doc/source/conf.py b/doc/source/conf.py
index e6d7ab5a0f4858f2cc499241f160c81c5a353895..7bc511e81aaf7d9dca61c4091a3fb6832d86d9c9 100644
--- a/doc/source/conf.py
+++ b/doc/source/conf.py
@@ -70,9 +70,9 @@ copyright = u'2016-2020, Gabriel Studer'
# built documents.
#
# The short X.Y version.
-release = '4.3.0'
+release = '4.3.1'
# The full version, including alpha/beta/rc tags.
-release = '4.3.0'
+release = '4.3.1'
# The language for content autogenerated by Sphinx. Refer to documentation
# for a list of supported languages.
diff --git a/docker/Dockerfile b/docker/Dockerfile
index 5ce38d1e31a14be944fef7f2fde0f7683f08feaf..b06ce8ab0350c9d77d18038c59ce3104ca600a39 100644
--- a/docker/Dockerfile
+++ b/docker/Dockerfile
@@ -164,6 +164,7 @@ RUN set -eo pipefail; \
/usr/bin/sed -i 's/\/cluster\/toolkit\/production\/bioprogs\/psipred\/bin/\/usr\/local\/bin/g' scripts/HHPaths.pm; \
/usr/bin/sed -i 's/\/cluster\/toolkit\/production\/bioprogs\/psipred\/data/\/usr\/local\/data/g' scripts/HHPaths.pm; \
/usr/bin/sed -i 's/\/cluster\/toolkit\/production\/bioprogs\/blast\/bin/\/usr\/local\/bin/g' scripts/HHPaths.pm; \
+ /usr/bin/sed -i 's/\/cluster\/databases\/dssp\/bin\/dsspcmbi//g' scripts/HHPaths.pm; \
_hhblts_cmke=""; \
if test ${OPT_FOR_CPU} -eq 0; then \
_hhblts_cmke="-DHAVE_SSE2=1"; \
@@ -223,7 +224,7 @@ RUN set -eo pipefail; \
# Install OpenStructure
#
# Version can be switched via --build-arg OST_VERSION="<TAG|BRANCH>"
-ARG OST_VERSION="2.2.0"
+ARG OST_VERSION="2.3.0"
ENV VERSION_OPENSTRUCTURE=$OST_VERSION
RUN set -eo pipefail; \
# \
@@ -286,7 +287,7 @@ RUN set -eo pipefail; \
# Install QMEAN
#
# Version can be switched via --build-arg QMEAN_VERSION="<TAG|BRANCH>"
-ARG QMEAN_VERSION="4.2.0"
+ARG QMEAN_VERSION="4.3.0"
ENV VERSION_QMEAN=$QMEAN_VERSION
RUN set -eo pipefail; \
# \
diff --git a/docker/README.md b/docker/README.md
index 113dee38e4e488f1ea3060ce7062329592d607e5..061e6f1a6fe82d99778c2f7e2feff50961f8c833 100644
--- a/docker/README.md
+++ b/docker/README.md
@@ -105,12 +105,12 @@ downloaded by either pulling it yourself or let Docker pull it first time you
run it. To actively pull, use the following command:
```terminal
-$ docker pull registry.scicore.unibas.ch/schwede/qmean:4.2.0
-4.2.0: Pulling from schwede/qmean
+$ docker pull registry.scicore.unibas.ch/schwede/qmean:latest
+latest: Pulling from schwede/qmean
...
Digest: sha256:db53a753d46b2525051478f9fa273df2b47a69100663eb70d538b461d52743d5
-Status: Downloaded newer image for registry.scicore.unibas.ch/schwede/qmean:4.2.0
-registry.scicore.unibas.ch/schwede/qmean:4.2.0
+Status: Downloaded newer image for registry.scicore.unibas.ch/schwede/qmean:latest
+registry.scicore.unibas.ch/schwede/qmean:latest
$
```
@@ -189,7 +189,7 @@ Having everything setup, you can score `model.pdb` with SEQRES data stored in
`seqres.fasta` using QMEANDisCo:
```terminal
-docker run --workdir $(pwd) -v $(pwd):$(pwd) -v <PATH_TO_LOCAL_UNICLUST>:/uniclust30 -v <PATH_TO_LOCAL_QMTL>:/qmtl registry.scicore.unibas.ch/schwede/qmean:4.2.0 run_qmean.py model.pdb --seqres seqres.fasta
+docker run --workdir $(pwd) -v $(pwd):$(pwd) -v <PATH_TO_LOCAL_UNICLUST>:/uniclust30 -v <PATH_TO_LOCAL_QMTL>:/qmtl registry.scicore.unibas.ch/schwede/qmean:latest run_qmean.py model.pdb --seqres seqres.fasta
```
Additionally to the mounts specified above, the current working directory
@@ -199,7 +199,7 @@ as workdir.
The following gives more details on additional command line arguments:
```terminal
-docker run registry.scicore.unibas.ch/schwede/qmean:4.2.0 run_qmean.py --help
+docker run registry.scicore.unibas.ch/schwede/qmean:latest run_qmean.py --help
```
<a name="singularity"></a>Singularity
@@ -208,7 +208,7 @@ docker run registry.scicore.unibas.ch/schwede/qmean:4.2.0 run_qmean.py --help
A Singularity Image can directly be pulled & build from our registry:
```terminal
-singularity build qmean_container.sif docker://registry.scicore.unibas.ch/schwede/qmean:4.2.0
+singularity build qmean_container.sif docker://registry.scicore.unibas.ch/schwede/qmean:latest
```
Singularity allows to directly access the current working directory from within the container,
diff --git a/pymod/mqa_result_membrane.py b/pymod/mqa_result_membrane.py
index 4e96b51eb692420cde0dc9595fd9a6dcb8daf771..ca64a28f9374f664f30d9f0e97ff3038ff0b945d 100644
--- a/pymod/mqa_result_membrane.py
+++ b/pymod/mqa_result_membrane.py
@@ -185,14 +185,11 @@ def GenerateEnergyGapPlot(energy, path):
ax.spines['top'].set_visible(False)
ax.xaxis.set_ticks_position('bottom')
ax.yaxis.set_ticks_position('left')
- ax.set_xticks(xtick_positions, xtick_labels)
-
+ ax.set_xticks(xtick_positions)
+ ax.set_xticklabels(xtick_labels)
fig.savefig(path)
-
-
-
LSCORES_TABLE_HEADER='''\
This file contains local scores calculated by the QMEAN scoring function.