2023.2

README.md

@@ -3,7 +3,7 @@
 [![](https://img.shields.io/conda/vn/bioconda/biobb_analysis?label=Conda)](https://anaconda.org/bioconda/biobb_analysis)
 [![](https://img.shields.io/conda/dn/bioconda/biobb_analysis?label=Conda%20Downloads)](https://anaconda.org/bioconda/biobb_analysis)
 [![](https://img.shields.io/badge/Docker-Quay.io-blue)](https://quay.io/repository/biocontainers/biobb_analysis?tab=tags)
-[![](https://img.shields.io/badge/Singularity-GalaxyProject-blue)](https://depot.galaxyproject.org/singularity/biobb_analysis:4.0.1--pyhdfd78af_0)
+[![](https://img.shields.io/badge/Singularity-GalaxyProject-blue)](https://depot.galaxyproject.org/singularity/biobb_analysis:4.0.2--pyhdfd78af_0)
 
 [![](https://img.shields.io/badge/OS-Unix%20%7C%20MacOS-blue)](https://github.com/bioexcel/biobb_analysis)
 [![](https://img.shields.io/pypi/pyversions/biobb-analysis.svg?label=Python%20Versions)](https://pypi.org/project/biobb-analysis/)
@@ -34,7 +34,7 @@ The latest documentation of this package can be found in our readthedocs site:
 [latest API documentation](http://biobb_analysis.readthedocs.io/en/latest/).
 
 ### Version
-v4.0.1 2023.1
+v4.0.2 2023.2
 
 ### Installation
 Using PIP:
@@ -44,7 +44,7 @@ Using PIP:
 * Installation:
 
 
-        pip install "biobb_analysis>=4.0.1"
+        pip install "biobb_analysis>=4.0.2"
 
 
 * Usage: [Python API documentation](https://biobb-analysis.readthedocs.io/en/latest/modules.html)
@@ -54,7 +54,7 @@ Using ANACONDA:
 * Installation:
 
 
-        conda install -c bioconda "biobb_analysis>=4.0.1"
+        conda install -c bioconda "biobb_analysis>=4.0.2"
 
 
 * Usage: With conda installation BioBBs can be used with the [Python API documentation](https://biobb-analysis.readthedocs.io/en/latest/modules.html) and the [Command Line documentation](https://biobb-analysis.readthedocs.io/en/latest/command_line.html)
@@ -64,13 +64,13 @@ Using DOCKER:
 * Installation:
 
 
-        docker pull quay.io/biocontainers/biobb_analysis:4.0.1--pyhdfd78af_0
+        docker pull quay.io/biocontainers/biobb_analysis:4.0.2--pyhdfd78af_0
 
 
 * Usage:
 
 
-        docker run quay.io/biocontainers/biobb_analysis:4.0.1--pyhdfd78af_0 <command>
+        docker run quay.io/biocontainers/biobb_analysis:4.0.2--pyhdfd78af_0 <command>
 
 
 Using SINGULARITY:
@@ -80,7 +80,7 @@ Using SINGULARITY:
 * Installation:
 
 
-        singularity pull --name biobb_analysis.sif https://depot.galaxyproject.org/singularity/biobb_analysis:4.0.1--pyhdfd78af_0
+        singularity pull --name biobb_analysis.sif https://depot.galaxyproject.org/singularity/biobb_analysis:4.0.2--pyhdfd78af_0
 
 
 * Usage:

biobb_analysis/__init__.py

@@ -1,3 +1,3 @@
 name = "biobb_analysis"
 __all__ = ["ambertools", "gromacs"]
-__version__ = "4.0.1"
+__version__ = "4.0.2"

biobb_analysis/docs/source/change_log.md

@@ -1,5 +1,19 @@
 # Biobb Analysis changelog
 
+## What's new in version [4.0.2](https://github.com/bioexcel/biobb_analysis/releases/tag/v4.0.2)?
+In version 4.0.2 the module gmx_trjconv_str_ens has been fixed.
+
+### New features
+
+* Fixes in gmx_trjconv_str_ens
+
+## What's new in version [4.0.1](https://github.com/bioexcel/biobb_analysis/releases/tag/v4.0.1)?
+In version 4.0.1 the module gmx_cluster has been fixed.
+
+### New features
+
+* Fixes in gmx_cluster
+
 ## What's new in version [4.0.0](https://github.com/bioexcel/biobb_analysis/releases/tag/v4.0.0)?
 In version 4.0.0 the dependency biobb_common has been updated to 4.0.0 version.
 

biobb_analysis/docs/source/conf.py

@@ -74,9 +74,9 @@
 # built documents.
 #
 # The short X.Y version.
-version = u'4.0.1'
+version = u'4.0.2'
 # The full version, including alpha/beta/rc tags.
-release = u'4.0.1'
+release = u'4.0.2'
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.

biobb_analysis/docs/source/readme.md

@@ -3,7 +3,7 @@
 [![](https://img.shields.io/conda/vn/bioconda/biobb_analysis?label=Conda)](https://anaconda.org/bioconda/biobb_analysis)
 [![](https://img.shields.io/conda/dn/bioconda/biobb_analysis?label=Conda%20Downloads)](https://anaconda.org/bioconda/biobb_analysis)
 [![](https://img.shields.io/badge/Docker-Quay.io-blue)](https://quay.io/repository/biocontainers/biobb_analysis?tab=tags)
-[![](https://img.shields.io/badge/Singularity-GalaxyProject-blue)](https://depot.galaxyproject.org/singularity/biobb_analysis:4.0.1--pyhdfd78af_0)
+[![](https://img.shields.io/badge/Singularity-GalaxyProject-blue)](https://depot.galaxyproject.org/singularity/biobb_analysis:4.0.2--pyhdfd78af_0)
 
 [![](https://img.shields.io/badge/OS-Unix%20%7C%20MacOS-blue)](https://github.com/bioexcel/biobb_analysis)
 [![](https://img.shields.io/pypi/pyversions/biobb-analysis.svg?label=Python%20Versions)](https://pypi.org/project/biobb-analysis/)
@@ -34,7 +34,7 @@ The latest documentation of this package can be found in our readthedocs site:
 [latest API documentation](http://biobb_analysis.readthedocs.io/en/latest/).
 
 ### Version
-v4.0.1 2023.1
+v4.0.2 2023.2
 
 ### Installation
 Using PIP:
@@ -44,7 +44,7 @@ Using PIP:
 * Installation:
 
 
-        pip install "biobb_analysis>=4.0.1"
+        pip install "biobb_analysis>=4.0.2"
 
 
 * Usage: [Python API documentation](https://biobb-analysis.readthedocs.io/en/latest/modules.html)
@@ -54,7 +54,7 @@ Using ANACONDA:
 * Installation:
 
 
-        conda install -c bioconda "biobb_analysis>=4.0.1"
+        conda install -c bioconda "biobb_analysis>=4.0.2"
 
 
 * Usage: With conda installation BioBBs can be used with the [Python API documentation](https://biobb-analysis.readthedocs.io/en/latest/modules.html) and the [Command Line documentation](https://biobb-analysis.readthedocs.io/en/latest/command_line.html)
@@ -64,13 +64,13 @@ Using DOCKER:
 * Installation:
 
 
-        docker pull quay.io/biocontainers/biobb_analysis:4.0.1--pyhdfd78af_0
+        docker pull quay.io/biocontainers/biobb_analysis:4.0.2--pyhdfd78af_0
 
 
 * Usage:
 
 
-        docker run quay.io/biocontainers/biobb_analysis:4.0.1--pyhdfd78af_0 <command>
+        docker run quay.io/biocontainers/biobb_analysis:4.0.2--pyhdfd78af_0 <command>
 
 
 Using SINGULARITY:
@@ -80,7 +80,7 @@ Using SINGULARITY:
 * Installation:
 
 
-        singularity pull --name biobb_analysis.sif https://depot.galaxyproject.org/singularity/biobb_analysis:4.0.1--pyhdfd78af_0
+        singularity pull --name biobb_analysis.sif https://depot.galaxyproject.org/singularity/biobb_analysis:4.0.2--pyhdfd78af_0
 
 
 * Usage:

biobb_analysis/docs/source/schema.html

@@ -10,7 +10,7 @@
   "applicationSubCategory": "http://www.edamontology.org/topic_3892",
   "citation": "https://www.nature.com/articles/s41597-019-0177-4",
   "license": "https://www.apache.org/licenses/LICENSE-2.0",
-  "softwareVersion": "4.0.1",
+  "softwareVersion": "4.0.2",
   "applicationSuite": "BioBB BioExcel Building Blocks",
   "codeRepository": "https://github.com/bioexcel/biobb_analysis",
   "isAccessibleForFree": "True",

biobb_analysis/json_schemas/biobb_analysis.json

@@ -4,9 +4,9 @@
     "github": "https://github.com/bioexcel/biobb_analysis",
     "readthedocs": "https://biobb-analysis.readthedocs.io/en/latest/",
     "conda": "https://anaconda.org/bioconda/biobb_analysis",
-    "docker": "https://quay.io/biocontainers/biobb_analysis:4.0.1--pyhdfd78af_0",
-    "singularity": "https://depot.galaxyproject.org/singularity/biobb_analysis:4.0.1--pyhdfd78af_0",
-    "version": "4.0.1",
+    "docker": "https://quay.io/biocontainers/biobb_analysis:4.0.2--pyhdfd78af_0",
+    "singularity": "https://depot.galaxyproject.org/singularity/biobb_analysis:4.0.2--pyhdfd78af_0",
+    "version": "4.0.2",
     "rest": true,
     "tools" : [
         {

setup.py

@@ -5,7 +5,7 @@
 
 setuptools.setup(
     name="biobb_analysis",
-    version="4.0.1",
+    version="4.0.2",
     author="Biobb developers",
     author_email="genis.bayarri@irbbarcelona.org",
     description="Biobb_analysis is the Biobb module collection to perform analysis of molecular dynamics simulations.",