2025.1

Author: gbayarri

README.md

@@ -3,7 +3,7 @@
 [![](https://img.shields.io/conda/vn/bioconda/biobb_godmd?label=Conda)](https://anaconda.org/bioconda/biobb_godmd)
 [![](https://img.shields.io/conda/dn/bioconda/biobb_godmd?label=Conda%20Downloads)](https://anaconda.org/bioconda/biobb_godmd)
 [![](https://img.shields.io/badge/Docker-Quay.io-blue)](https://quay.io/repository/biocontainers/biobb_godmd?tab=tags)
-[![](https://img.shields.io/badge/Singularity-GalaxyProject-blue)](https://depot.galaxyproject.org/singularity/biobb_godmd:5.1.0--pyhdfd78af_0)
+[![](https://img.shields.io/badge/Singularity-GalaxyProject-blue)](https://depot.galaxyproject.org/singularity/biobb_godmd:5.1.1--pyhdfd78af_0)
 
 [![](https://img.shields.io/badge/OS-Unix%20%7C%20MacOS-blue)](https://github.com/bioexcel/biobb_godmd)
 [![](https://img.shields.io/pypi/pyversions/biobb-godmd.svg?label=Python%20Versions)](https://pypi.org/project/biobb-godmd/)
@@ -41,7 +41,7 @@ The latest documentation of this package can be found in our readthedocs site:
 [latest API documentation](http://biobb-godmd.readthedocs.io/en/latest/).
 
 ### Version
-v5.1.0 2025.1
+v5.1.1 2025.1
 
 ### Installation
 Using PIP:
@@ -51,7 +51,7 @@ Using PIP:
 * Installation:
 
 
-        pip install "biobb_godmd>=5.1.0"
+        pip install "biobb_godmd>=5.1.1"
 
 
 * Usage: [Python API documentation](https://biobb-godmd.readthedocs.io/en/latest/modules.html)
@@ -61,7 +61,7 @@ Using ANACONDA:
 * Installation:
 
 
-        conda install -c bioconda "biobb_godmd>=5.1.0"
+        conda install -c bioconda "biobb_godmd>=5.1.1"
 
 
 * Usage: With conda installation BioBBs can be used with the [Python API documentation](https://biobb-godmd.readthedocs.io/en/latest/modules.html) and the [Command Line documentation](https://biobb-godmd.readthedocs.io/en/latest/command_line.html)
@@ -71,13 +71,13 @@ Using DOCKER:
 * Installation:
 
 
-        docker pull quay.io/biocontainers/biobb_godmd:5.1.0--pyhdfd78af_0
+        docker pull quay.io/biocontainers/biobb_godmd:5.1.1--pyhdfd78af_0
 
 
 * Usage:
 
 
-        docker run quay.io/biocontainers/biobb_godmd:5.1.0--pyhdfd78af_0 <command>
+        docker run quay.io/biocontainers/biobb_godmd:5.1.1--pyhdfd78af_0 <command>
 
 
 Using SINGULARITY:
@@ -87,7 +87,7 @@ Using SINGULARITY:
 * Installation:
 
 
-        singularity pull --name biobb_godmd.sif https://depot.galaxyproject.org/singularity/biobb_godmd:5.1.0--pyhdfd78af_0
+        singularity pull --name biobb_godmd.sif https://depot.galaxyproject.org/singularity/biobb_godmd:5.1.1--pyhdfd78af_0
 
 
 * Usage:

biobb_godmd/__init__.py

@@ -2,4 +2,4 @@
 
 name = "biobb_godmd"
 __all__ = ["godmd"]
-__version__ = "5.1.0"
+__version__ = "5.1.1"

biobb_godmd/docs/source/change_log.md

@@ -1,5 +1,11 @@
 # Biobb GOdMD changelog
 
+## What's new in version [5.1.1](https://github.com/bioexcel/biobb_godmd/releases/tag/v5.1.1)?
+
+### Changes
+
+* [UPDATE]: Update to GodMD 1.6
+
 ## What's new in version [5.1.0](https://github.com/bioexcel/biobb_godmd/releases/tag/v5.1.0)?
 
 ### Changes

biobb_godmd/docs/source/conf.py

@@ -78,9 +78,9 @@
 # built documents.
 #
 # The short X.Y version.
-version = "5.1.0"
+version = "5.1.1"
 # The full version, including alpha/beta/rc tags.
-release = "5.1.0"
+release = "5.1.1"
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.

biobb_godmd/docs/source/readme.md

@@ -3,7 +3,7 @@
 [![](https://img.shields.io/conda/vn/bioconda/biobb_godmd?label=Conda)](https://anaconda.org/bioconda/biobb_godmd)
 [![](https://img.shields.io/conda/dn/bioconda/biobb_godmd?label=Conda%20Downloads)](https://anaconda.org/bioconda/biobb_godmd)
 [![](https://img.shields.io/badge/Docker-Quay.io-blue)](https://quay.io/repository/biocontainers/biobb_godmd?tab=tags)
-[![](https://img.shields.io/badge/Singularity-GalaxyProject-blue)](https://depot.galaxyproject.org/singularity/biobb_godmd:5.1.0--pyhdfd78af_0)
+[![](https://img.shields.io/badge/Singularity-GalaxyProject-blue)](https://depot.galaxyproject.org/singularity/biobb_godmd:5.1.1--pyhdfd78af_0)
 
 [![](https://img.shields.io/badge/OS-Unix%20%7C%20MacOS-blue)](https://github.com/bioexcel/biobb_godmd)
 [![](https://img.shields.io/pypi/pyversions/biobb-godmd.svg?label=Python%20Versions)](https://pypi.org/project/biobb-godmd/)
@@ -41,7 +41,7 @@ The latest documentation of this package can be found in our readthedocs site:
 [latest API documentation](http://biobb-godmd.readthedocs.io/en/latest/).
 
 ### Version
-v5.1.0 2025.1
+v5.1.1 2025.1
 
 ### Installation
 Using PIP:
@@ -51,7 +51,7 @@ Using PIP:
 * Installation:
 
 
-        pip install "biobb_godmd>=5.1.0"
+        pip install "biobb_godmd>=5.1.1"
 
 
 * Usage: [Python API documentation](https://biobb-godmd.readthedocs.io/en/latest/modules.html)
@@ -61,7 +61,7 @@ Using ANACONDA:
 * Installation:
 
 
-        conda install -c bioconda "biobb_godmd>=5.1.0"
+        conda install -c bioconda "biobb_godmd>=5.1.1"
 
 
 * Usage: With conda installation BioBBs can be used with the [Python API documentation](https://biobb-godmd.readthedocs.io/en/latest/modules.html) and the [Command Line documentation](https://biobb-godmd.readthedocs.io/en/latest/command_line.html)
@@ -71,13 +71,13 @@ Using DOCKER:
 * Installation:
 
 
-        docker pull quay.io/biocontainers/biobb_godmd:5.1.0--pyhdfd78af_0
+        docker pull quay.io/biocontainers/biobb_godmd:5.1.1--pyhdfd78af_0
 
 
 * Usage:
 
 
-        docker run quay.io/biocontainers/biobb_godmd:5.1.0--pyhdfd78af_0 <command>
+        docker run quay.io/biocontainers/biobb_godmd:5.1.1--pyhdfd78af_0 <command>
 
 
 Using SINGULARITY:
@@ -87,7 +87,7 @@ Using SINGULARITY:
 * Installation:
 
 
-        singularity pull --name biobb_godmd.sif https://depot.galaxyproject.org/singularity/biobb_godmd:5.1.0--pyhdfd78af_0
+        singularity pull --name biobb_godmd.sif https://depot.galaxyproject.org/singularity/biobb_godmd:5.1.1--pyhdfd78af_0
 
 
 * Usage:

biobb_godmd/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": "5.1.0",
+  "softwareVersion": "5.1.1",
   "applicationSuite": "BioBB BioExcel Building Blocks",
   "codeRepository": "https://github.com/bioexcel/biobb_godmd",
   "isAccessibleForFree": "True",

biobb_godmd/json_schemas/biobb_godmd.json

@@ -4,9 +4,9 @@
     "github": "https://github.com/bioexcel/biobb_godmd",
     "readthedocs": "https://biobb-godmd.readthedocs.io/en/latest/",
     "conda": "https://anaconda.org/bioconda/biobb_godmd",
-    "docker": "https://quay.io/biocontainers/biobb_godmd:5.1.0--pyhdfd78af_0",
-    "singularity": "https://depot.galaxyproject.org/singularity/biobb_godmd:5.1.0--pyhdfd78af_0",
-    "version": "5.1.0",
+    "docker": "https://quay.io/biocontainers/biobb_godmd:5.1.1--pyhdfd78af_0",
+    "singularity": "https://depot.galaxyproject.org/singularity/biobb_godmd:5.1.1--pyhdfd78af_0",
+    "version": "5.1.1",
     "rest": false,
     "tools": [
         {
@@ -28,12 +28,12 @@
     ],
     "dep_pypi": [
         "install_requires=['biobb_common==5.1.0']",
-        "python_requires='>=3.9,<3.11'"
+        "python_requires='>=3.9'"
     ],
     "dep_conda": [
-        "python >=3.9,<3.11",
+        "python >=3.9",
         "biobb_common ==5.1.0",
-        "godmd ==1.0.0",
+        "godmd ==1.6",
         "emboss"
     ],
     "keywords": [

setup.py

@@ -5,7 +5,7 @@
 
 setuptools.setup(
     name="biobb_godmd",
-    version="5.1.0",
+    version="5.1.1",
     author="Biobb developers",
     author_email="[email protected]",
     description="Biobb_godmd is a BioBB category for GOdMD tool (protein conformational transitions).",
@@ -20,7 +20,7 @@
     packages=setuptools.find_packages(exclude=["docs", "test"]),
     package_data={"biobb_godmd": ["py.typed"]},
     install_requires=["biobb_common==5.1.0"],
-    python_requires=">=3.9,<3.11",
+    python_requires=">=3.9",
     entry_points={
         "console_scripts": [
             "godmd_prep = biobb_godmd.godmd.godmd_prep:main",