2024.2

bioexcel · Dec 16, 2024 · 842d5d7 · 842d5d7
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diff --git a/README.md b/README.md
@@ -3,7 +3,7 @@
 [![](https://img.shields.io/conda/vn/bioconda/biobb_mem?label=Conda)](https://anaconda.org/bioconda/biobb_mem)
 [![](https://img.shields.io/conda/dn/bioconda/biobb_mem?label=Conda%20Downloads)](https://anaconda.org/bioconda/biobb_mem)
 [![](https://img.shields.io/badge/Docker-Quay.io-blue)](https://quay.io/repository/biocontainers/biobb_mem?tab=tags)
-[![](https://img.shields.io/badge/Singularity-GalaxyProject-blue)](https://depot.galaxyproject.org/singularity/biobb_mem:5.0.3--pyhdfd78af_0)
+[![](https://img.shields.io/badge/Singularity-GalaxyProject-blue)](https://depot.galaxyproject.org/singularity/biobb_mem:5.0.4--pyhdfd78af_0)
 
 [![](https://img.shields.io/badge/OS-Unix%20%7C%20MacOS-blue)](https://github.com/bioexcel/biobb_mem)
 [![](https://img.shields.io/pypi/pyversions/biobb-mem.svg?label=Python%20Versions)](https://pypi.org/project/biobb-mem/)
@@ -41,7 +41,7 @@ The latest documentation of this package can be found in our readthedocs site:
 [latest API documentation](http://biobb-mem.readthedocs.io/en/latest/).
 
 ### Version
-v5.0.3 2024.2
+v5.0.4 2024.2
 
 ### Installation
 Using PIP:
@@ -51,7 +51,7 @@ Using PIP:
 * Installation:
 
 
-        pip install "biobb_mem>=5.0.3"
+        pip install "biobb_mem>=5.0.4"
 
 
 * Usage: [Python API documentation](https://biobb-mem.readthedocs.io/en/latest/modules.html)
@@ -61,7 +61,7 @@ Using ANACONDA:
 * Installation:
 
 
-        conda install -c bioconda "biobb_mem>=5.0.3"
+        conda install -c bioconda "biobb_mem>=5.0.4"
 
 
 * Usage: With conda installation BioBBs can be used with the [Python API documentation](https://biobb-mem.readthedocs.io/en/latest/modules.html) and the [Command Line documentation](https://biobb-mem.readthedocs.io/en/latest/command_line.html)
@@ -71,13 +71,13 @@ Using DOCKER:
 * Installation:
 
 
-        docker pull quay.io/biocontainers/biobb_mem:5.0.3--pyhdfd78af_0
+        docker pull quay.io/biocontainers/biobb_mem:5.0.4--pyhdfd78af_0
 
 
 * Usage:
 
 
-        docker run quay.io/biocontainers/biobb_mem:5.0.3--pyhdfd78af_0
+        docker run quay.io/biocontainers/biobb_mem:5.0.4--pyhdfd78af_0
 
 
 Using SINGULARITY:
@@ -87,7 +87,7 @@ Using SINGULARITY:
 * Installation:
 
 
-        singularity pull --name biobb_mem.sif https://depot.galaxyproject.org/singularity/biobb_mem:5.0.3--pyhdfd78af_0
+        singularity pull --name biobb_mem.sif https://depot.galaxyproject.org/singularity/biobb_mem:5.0.4--pyhdfd78af_0
 
 
 * Usage:

diff --git a/biobb_mem/__init__.py b/biobb_mem/__init__.py
@@ -5,4 +5,4 @@
 
 name = "biobb_mem"
 __all__ = ["ambertools", "fatslim", "lipyphilic_biobb", "mdanalysis_biobb"]
-__version__ = "5.0.3"
+__version__ = "5.0.4"
diff --git a/biobb_mem/docs/source/change_log.md b/biobb_mem/docs/source/change_log.md
@@ -1,6 +1,11 @@
 
 # Biobb Membrane changelog
 
+## What's new in version [5.0.4](https://github.com/bioexcel/biobb_mem/releases/tag/v5.0.3)?
+### New features
+
+* [UPDATE] New output_csv_path argument for mda_hole.
+
 ## What's new in version [5.0.3](https://github.com/bioexcel/biobb_mem/releases/tag/v5.0.3)?
 ### New features
 

diff --git a/biobb_mem/docs/source/conf.py b/biobb_mem/docs/source/conf.py
@@ -76,9 +76,9 @@
 # built documents.
 #
 # The short X.Y version.
-version = u'5.0.3'
+version = u'5.0.4'
 # The full version, including alpha/beta/rc tags.
-release = u'5.0.3'
+release = u'5.0.4'
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.

diff --git a/biobb_mem/docs/source/readme.md b/biobb_mem/docs/source/readme.md
@@ -3,7 +3,7 @@
 [![](https://img.shields.io/conda/vn/bioconda/biobb_mem?label=Conda)](https://anaconda.org/bioconda/biobb_mem)
 [![](https://img.shields.io/conda/dn/bioconda/biobb_mem?label=Conda%20Downloads)](https://anaconda.org/bioconda/biobb_mem)
 [![](https://img.shields.io/badge/Docker-Quay.io-blue)](https://quay.io/repository/biocontainers/biobb_mem?tab=tags)
-[![](https://img.shields.io/badge/Singularity-GalaxyProject-blue)](https://depot.galaxyproject.org/singularity/biobb_mem:5.0.3--pyhdfd78af_0)
+[![](https://img.shields.io/badge/Singularity-GalaxyProject-blue)](https://depot.galaxyproject.org/singularity/biobb_mem:5.0.4--pyhdfd78af_0)
 
 [![](https://img.shields.io/badge/OS-Unix%20%7C%20MacOS-blue)](https://github.com/bioexcel/biobb_mem)
 [![](https://img.shields.io/pypi/pyversions/biobb-mem.svg?label=Python%20Versions)](https://pypi.org/project/biobb-mem/)
@@ -41,7 +41,7 @@ The latest documentation of this package can be found in our readthedocs site:
 [latest API documentation](http://biobb-mem.readthedocs.io/en/latest/).
 
 ### Version
-v5.0.3 2024.2
+v5.0.4 2024.2
 
 ### Installation
 Using PIP:
@@ -51,7 +51,7 @@ Using PIP:
 * Installation:
 
 
-        pip install "biobb_mem>=5.0.3"
+        pip install "biobb_mem>=5.0.4"
 
 
 * Usage: [Python API documentation](https://biobb-mem.readthedocs.io/en/latest/modules.html)
@@ -61,7 +61,7 @@ Using ANACONDA:
 * Installation:
 
 
-        conda install -c bioconda "biobb_mem>=5.0.3"
+        conda install -c bioconda "biobb_mem>=5.0.4"
 
 
 * Usage: With conda installation BioBBs can be used with the [Python API documentation](https://biobb-mem.readthedocs.io/en/latest/modules.html) and the [Command Line documentation](https://biobb-mem.readthedocs.io/en/latest/command_line.html)
@@ -71,13 +71,13 @@ Using DOCKER:
 * Installation:
 
 
-        docker pull quay.io/biocontainers/biobb_mem:5.0.3--pyhdfd78af_0
+        docker pull quay.io/biocontainers/biobb_mem:5.0.4--pyhdfd78af_0
 
 
 * Usage:
 
 
-        docker run quay.io/biocontainers/biobb_mem:5.0.3--pyhdfd78af_0
+        docker run quay.io/biocontainers/biobb_mem:5.0.4--pyhdfd78af_0
 
 
 Using SINGULARITY:
@@ -87,7 +87,7 @@ Using SINGULARITY:
 * Installation:
 
 
-        singularity pull --name biobb_mem.sif https://depot.galaxyproject.org/singularity/biobb_mem:5.0.3--pyhdfd78af_0
+        singularity pull --name biobb_mem.sif https://depot.galaxyproject.org/singularity/biobb_mem:5.0.4--pyhdfd78af_0
 
 
 * Usage:

diff --git a/biobb_mem/docs/source/schema.html b/biobb_mem/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": "5.0.3",
+  "softwareVersion": "5.0.4",
   "applicationSuite": "BioBB BioExcel Building Blocks",
   "codeRepository": "https://github.com/bioexcel/biobb_mem",
   "isAccessibleForFree": "True",

diff --git a/biobb_mem/json_schemas/biobb_mem.json b/biobb_mem/json_schemas/biobb_mem.json
@@ -4,9 +4,9 @@
     "github": "https://github.com/bioexcel/biobb_mem",
     "readthedocs": "https://biobb-mem.readthedocs.io/en/latest/",
     "conda": "https://anaconda.org/bioconda/biobb_mem",
-    "docker": "https://quay.io/biocontainers/biobb_mem:5.0.3--pyhdfd78af_0",
-    "singularity": "https://depot.galaxyproject.org/singularity/biobb_mem:5.0.3--pyhdfd78af_0",
-    "version": "5.0.3",
+    "docker": "https://quay.io/biocontainers/biobb_mem:5.0.4--pyhdfd78af_0",
+    "singularity": "https://depot.galaxyproject.org/singularity/biobb_mem:5.0.4--pyhdfd78af_0",
+    "version": "5.0.4",
     "tools" : [
         {
             "block" : "MDAHole", 

diff --git a/setup.py b/setup.py
@@ -5,7 +5,7 @@
 
 setuptools.setup(
     name="biobb_mem",
-    version="5.0.3",
+    version="5.0.4",
     author="Biobb developers",
     author_email="[email protected]",
     description="Biobb_mem is a complete code template to promote and facilitate the creation of new Biobbs by the community.",