biobb-io 5.0.1__py3-none-any.whl → 5.1.1__py3-none-any.whl

biobb_io/api/memprotmd_sim.py

@@ -2,10 +2,7 @@
 
 """Module containing the MemProtMDSim class and the command line interface."""
 
-import argparse
 from typing import Optional
-
-from biobb_common.configuration import settings
 from biobb_common.generic.biobb_object import BiobbObject
 from biobb_common.tools.file_utils import launchlogger
 
@@ -108,41 +105,11 @@ def memprotmd_sim(
 ) -> int:
     """Execute the :class:`MemProtMDSim <api.memprotmd_sim.MemProtMDSim>` class and
     execute the :meth:`launch() <api.memprotmd_sim.MemProtMDSim.launch>` method."""
+    return MemProtMDSim(**dict(locals())).launch()
 
-    return MemProtMDSim(
-        output_simulation=output_simulation, properties=properties, **kwargs
-    ).launch()
-
-
-def main():
-    """Command line execution of this building block. Please check the command line documentation."""
-    parser = argparse.ArgumentParser(
-        description="Wrapper for the MemProtMD DB REST API (http://memprotmd.bioch.ox.ac.uk/) to download a simulation.",
-        formatter_class=lambda prog: argparse.RawTextHelpFormatter(prog, width=99999),
-    )
-    parser.add_argument(
-        "-c",
-        "--config",
-        required=False,
-        help="This file can be a YAML file, JSON file or JSON string",
-    )
-
-    # Specific args of each building block
-    required_args = parser.add_argument_group("required arguments")
-    required_args.add_argument(
-        "-o",
-        "--output_simulation",
-        required=True,
-        help="Path to the output simulation in a ZIP file. Accepted formats: zip.",
-    )
-
-    args = parser.parse_args()
-    config = args.config if args.config else None
-    properties = settings.ConfReader(config=config).get_prop_dic()
-
-    # Specific call of each building block
-    memprotmd_sim(output_simulation=args.output_simulation, properties=properties)
 
+memprotmd_sim.__doc__ = MemProtMDSim.__doc__
+main = MemProtMDSim.get_main(memprotmd_sim, "Wrapper for the MemProtMD DB REST API (http://memprotmd.bioch.ox.ac.uk/) to download a simulation.")
 
 if __name__ == "__main__":
     main()

biobb_io/api/memprotmd_sim_list.py

@@ -2,13 +2,9 @@
 
 """Module containing the MemProtMDSimList class and the command line interface."""
 
-import argparse
 from typing import Optional
-
-from biobb_common.configuration import settings
 from biobb_common.generic.biobb_object import BiobbObject
 from biobb_common.tools.file_utils import launchlogger
-
 from biobb_io.api.common import check_output_path, get_memprotmd_sim_list, write_json
 
 
@@ -97,43 +93,11 @@ def memprotmd_sim_list(
 ) -> int:
     """Execute the :class:`MemProtMDSimList <api.memprotmd_sim_list.MemProtMDSimList>` class and
     execute the :meth:`launch() <api.memprotmd_sim_list.MemProtMDSimList.launch>` method."""
+    return MemProtMDSimList(**dict(locals())).launch()
 
-    return MemProtMDSimList(
-        output_simulations=output_simulations, properties=properties, **kwargs
-    ).launch()
-
-
-def main():
-    """Command line execution of this building block. Please check the command line documentation."""
-    parser = argparse.ArgumentParser(
-        description="Wrapper for the MemProtMD DB REST API (http://memprotmd.bioch.ox.ac.uk/) to get all available membrane-protein systems (simulations).",
-        formatter_class=lambda prog: argparse.RawTextHelpFormatter(prog, width=99999),
-    )
-    parser.add_argument(
-        "-c",
-        "--config",
-        required=False,
-        help="This file can be a YAML file, JSON file or JSON string",
-    )
-
-    # Specific args of each building block
-    required_args = parser.add_argument_group("required arguments")
-    required_args.add_argument(
-        "-o",
-        "--output_simulations",
-        required=True,
-        help="Path to the output JSON file. Accepted formats: json.",
-    )
-
-    args = parser.parse_args()
-    config = args.config if args.config else None
-    properties = settings.ConfReader(config=config).get_prop_dic()
-
-    # Specific call of each building block
-    memprotmd_sim_list(
-        output_simulations=args.output_simulations, properties=properties
-    )
 
+memprotmd_sim_list.__doc__ = MemProtMDSimList.__doc__
+main = MemProtMDSimList.get_main(memprotmd_sim_list, "Wrapper for the MemProtMD DB REST API (http://memprotmd.bioch.ox.ac.uk/) to get all available membrane-protein systems (simulations).")
 
 if __name__ == "__main__":
     main()

biobb_io/api/memprotmd_sim_search.py

@@ -2,10 +2,7 @@
 
 """Module containing the MemProtMDSimSearch class and the command line interface."""
 
-import argparse
 from typing import Optional
-
-from biobb_common.configuration import settings
 from biobb_common.generic.biobb_object import BiobbObject
 from biobb_common.tools.file_utils import launchlogger
 
@@ -108,43 +105,11 @@ def memprotmd_sim_search(
 ) -> int:
     """Execute the :class:`MemProtMDSimSearch <api.memprotmd_sim_search.MemProtMDSimSearch>` class and
     execute the :meth:`launch() <api.memprotmd_sim_search.MemProtMDSimSearch.launch>` method."""
+    return MemProtMDSimSearch(**dict(locals())).launch()
 
-    return MemProtMDSimSearch(
-        output_simulations=output_simulations, properties=properties, **kwargs
-    ).launch()
-
-
-def main():
-    """Command line execution of this building block. Please check the command line documentation."""
-    parser = argparse.ArgumentParser(
-        description="Wrapper for the MemProtMD DB REST API (http://memprotmd.bioch.ox.ac.uk/) to perform advanced searches.",
-        formatter_class=lambda prog: argparse.RawTextHelpFormatter(prog, width=99999),
-    )
-    parser.add_argument(
-        "-c",
-        "--config",
-        required=False,
-        help="This file can be a YAML file, JSON file or JSON string",
-    )
-
-    # Specific args of each building block
-    required_args = parser.add_argument_group("required arguments")
-    required_args.add_argument(
-        "-o",
-        "--output_simulations",
-        required=True,
-        help="Path to the output JSON file. Accepted formats: json.",
-    )
-
-    args = parser.parse_args()
-    config = args.config if args.config else None
-    properties = settings.ConfReader(config=config).get_prop_dic()
-
-    # Specific call of each building block
-    memprotmd_sim_search(
-        output_simulations=args.output_simulations, properties=properties
-    )
 
+memprotmd_sim_search.__doc__ = MemProtMDSimSearch.__doc__
+main = MemProtMDSimSearch.get_main(memprotmd_sim_search, "Wrapper for the MemProtMD DB REST API (http://memprotmd.bioch.ox.ac.uk/) to perform advanced searches.")
 
 if __name__ == "__main__":
     main()

biobb_io/api/mmcif.py

@@ -2,10 +2,7 @@
 
 """Module containing the Mmcif class and the command line interface."""
 
-import argparse
 from typing import Optional
-
-from biobb_common.configuration import settings
 from biobb_common.generic.biobb_object import BiobbObject
 from biobb_common.tools.file_utils import launchlogger
 
@@ -113,41 +110,11 @@ class Mmcif(BiobbObject):
 def mmcif(output_mmcif_path: str, properties: Optional[dict] = None, **kwargs) -> int:
     """Execute the :class:`Mmcif <api.mmcif.Mmcif>` class and
     execute the :meth:`launch() <api.mmcif.Mmcif.launch>` method."""
+    return Mmcif(**dict(locals())).launch()
 
-    return Mmcif(
-        output_mmcif_path=output_mmcif_path, properties=properties, **kwargs
-    ).launch()
-
-
-def main():
-    """Command line execution of this building block. Please check the command line documentation."""
-    parser = argparse.ArgumentParser(
-        description="This class is a wrapper for downloading a MMCIF structure from the Protein Data Bank.",
-        formatter_class=lambda prog: argparse.RawTextHelpFormatter(prog, width=99999),
-    )
-    parser.add_argument(
-        "-c",
-        "--config",
-        required=False,
-        help="This file can be a YAML file, JSON file or JSON string",
-    )
-
-    # Specific args of each building block
-    required_args = parser.add_argument_group("required arguments")
-    required_args.add_argument(
-        "-o",
-        "--output_mmcif_path",
-        required=True,
-        help="Path to the output MMCIF file. Accepted formats: cif, mmcif.",
-    )
-
-    args = parser.parse_args()
-    config = args.config if args.config else None
-    properties = settings.ConfReader(config=config).get_prop_dic()
-
-    # Specific call of each building block
-    mmcif(output_mmcif_path=args.output_mmcif_path, properties=properties)
 
+mmcif.__doc__ = Mmcif.__doc__
+main = Mmcif.get_main(mmcif, "This class is a wrapper for downloading a MMCIF structure from the Protein Data Bank.")
 
 if __name__ == "__main__":
     main()

biobb_io/api/pdb.py

@@ -2,10 +2,7 @@
 
 """Module containing the Pdb class and the command line interface."""
 
-import argparse
 from typing import Optional
-
-from biobb_common.configuration import settings
 from biobb_common.generic.biobb_object import BiobbObject
 from biobb_common.tools.file_utils import launchlogger
 
@@ -118,41 +115,11 @@ class Pdb(BiobbObject):
 def pdb(output_pdb_path: str, properties: Optional[dict] = None, **kwargs) -> int:
     """Execute the :class:`Pdb <api.pdb.Pdb>` class and
     execute the :meth:`launch() <api.pdb.Pdb.launch>` method."""
+    return Pdb(**dict(locals())).launch()
 
-    return Pdb(
-        output_pdb_path=output_pdb_path, properties=properties, **kwargs
-    ).launch()
-
-
-def main():
-    """Command line execution of this building block. Please check the command line documentation."""
-    parser = argparse.ArgumentParser(
-        description="This class is a wrapper for downloading a PDB structure from the Protein Data Bank.",
-        formatter_class=lambda prog: argparse.RawTextHelpFormatter(prog, width=99999),
-    )
-    parser.add_argument(
-        "-c",
-        "--config",
-        required=False,
-        help="This file can be a YAML file, JSON file or JSON string",
-    )
-
-    # Specific args of each building block
-    required_args = parser.add_argument_group("required arguments")
-    required_args.add_argument(
-        "-o",
-        "--output_pdb_path",
-        required=True,
-        help="Path to the output PDB file. Accepted formats: pdb.",
-    )
-
-    args = parser.parse_args()
-    config = args.config if args.config else None
-    properties = settings.ConfReader(config=config).get_prop_dic()
-
-    # Specific call of each building block
-    pdb(output_pdb_path=args.output_pdb_path, properties=properties)
 
+pdb.__doc__ = Pdb.__doc__
+main = Pdb.get_main(pdb, "This class is a wrapper for downloading a PDB structure from the Protein Data Bank.")
 
 if __name__ == "__main__":
     main()

biobb_io/api/pdb_cluster_zip.py

@@ -2,11 +2,8 @@
 
 """PdbClusterZip Module"""
 
-import argparse
 import os
 from typing import Optional
-
-from biobb_common.configuration import settings
 from biobb_common.generic.biobb_object import BiobbObject
 from biobb_common.tools import file_utils as fu
 from biobb_common.tools.file_utils import launchlogger
@@ -132,7 +129,7 @@ class PdbClusterZip(BiobbObject):
         fu.log("Zipping the pdb files to: %s" % self.output_pdb_zip_path)
         fu.zip_list(self.output_pdb_zip_path, file_list, out_log=self.out_log)
 
-        self.tmp_files.extend([self.stage_io_dict.get("unique_dir", ""), unique_dir])
+        self.tmp_files.extend([unique_dir])
         self.remove_tmp_files()
 
         self.check_arguments(output_files_created=True, raise_exception=False)
@@ -145,41 +142,11 @@ def pdb_cluster_zip(
 ) -> int:
     """Execute the :class:`PdbClusterZip <api.pdb_cluster_zip.PdbClusterZip>` class and
     execute the :meth:`launch() <api.pdb_cluster_zip.PdbClusterZip.launch>` method."""
+    return PdbClusterZip(**dict(locals())).launch()
 
-    return PdbClusterZip(
-        output_pdb_zip_path=output_pdb_zip_path, properties=properties, **kwargs
-    ).launch()
-
-
-def main():
-    """Command line execution of this building block. Please check the command line documentation."""
-    parser = argparse.ArgumentParser(
-        description="Wrapper for the Protein Data Bank in Europe (https://www.ebi.ac.uk/pdbe/), the Protein Data Bank (https://www.rcsb.org/) and the MMB PDB mirror (http://mmb.irbbarcelona.org/api/) for downloading a PDB cluster.",
-        formatter_class=lambda prog: argparse.RawTextHelpFormatter(prog, width=99999),
-    )
-    parser.add_argument(
-        "-c",
-        "--config",
-        required=False,
-        help="This file can be a YAML file, JSON file or JSON string",
-    )
-
-    # Specific args of each building block
-    required_args = parser.add_argument_group("required arguments")
-    required_args.add_argument(
-        "-o",
-        "--output_pdb_zip_path",
-        required=True,
-        help="Path to the ZIP or PDB file containing the output PDB files. Accepted formats: pdb, zip.",
-    )
-
-    args = parser.parse_args()
-    config = args.config if args.config else None
-    properties = settings.ConfReader(config=config).get_prop_dic()
-
-    # Specific call of each building block
-    pdb_cluster_zip(output_pdb_zip_path=args.output_pdb_zip_path, properties=properties)
 
+pdb_cluster_zip.__doc__ = PdbClusterZip.__doc__
+main = PdbClusterZip.get_main(pdb_cluster_zip, "Wrapper for the Protein Data Bank in Europe (https://www.ebi.ac.uk/pdbe/), the Protein Data Bank (https://www.rcsb.org/) and the MMB PDB mirror (http://mmb.irbbarcelona.org/api/) for downloading a PDB cluster.")
 
 if __name__ == "__main__":
     main()

biobb_io/api/pdb_variants.py

@@ -2,12 +2,9 @@
 
 """PdbVariants Module"""
 
-import argparse
 import re
-from typing import Optional
-
 import requests
-from biobb_common.configuration import settings
+from typing import Optional
 from biobb_common.generic.biobb_object import BiobbObject
 from biobb_common.tools import file_utils as fu
 from biobb_common.tools.file_utils import launchlogger
@@ -131,14 +128,10 @@ class PdbVariants(BiobbObject):
             for k in mapdic.keys():
                 for fragment in mapdic[k]:
                     if (
-                        int(fragment["unp_start"])
-                        <= int(uni_mut["resnum"])
-                        <= int(fragment["unp_end"])
+                        int(fragment["unp_start"]) <= int(uni_mut["resnum"]) <= int(fragment["unp_end"])
                     ):
                         resnum = (
-                            int(uni_mut["resnum"])
-                            + int(fragment["pdb_start"])
-                            - int(fragment["unp_start"])
+                            int(uni_mut["resnum"]) + int(fragment["pdb_start"]) - int(fragment["unp_start"])
                         )
                         mutations.append(
                             k[-1] + "." + uni_mut["wt"] + str(resnum) + uni_mut["mt"]
@@ -172,45 +165,11 @@ def pdb_variants(
 ) -> int:
     """Execute the :class:`PdbVariants <api.pdb_variants.PdbVariants>` class and
     execute the :meth:`launch() <api.pdb_variants.PdbVariants.launch>` method."""
+    return PdbVariants(**dict(locals())).launch()
 
-    return PdbVariants(
-        output_mutations_list_txt=output_mutations_list_txt,
-        properties=properties,
-        **kwargs,
-    ).launch()
-
-
-def main():
-    """Command line execution of this building block. Please check the command line documentation."""
-    parser = argparse.ArgumentParser(
-        description="Wrapper for the UNIPROT (http://www.uniprot.org/) mirror of the MMB group REST API (http://mmb.irbbarcelona.org/api/) for creating a list of all the variants mapped to a PDB code from the corresponding UNIPROT entries.",
-        formatter_class=lambda prog: argparse.RawTextHelpFormatter(prog, width=99999),
-    )
-    parser.add_argument(
-        "-c",
-        "--config",
-        required=False,
-        help="This file can be a YAML file, JSON file or JSON string",
-    )
-
-    # Specific args of each building block
-    required_args = parser.add_argument_group("required arguments")
-    required_args.add_argument(
-        "-o",
-        "--output_mutations_list_txt",
-        required=True,
-        help="Path to the TXT file containing an ASCII comma separated values of the mutations. Accepted formats: txt.",
-    )
-
-    args = parser.parse_args()
-    config = args.config if args.config else None
-    properties = settings.ConfReader(config=config).get_prop_dic()
-
-    # Specific call of each building block
-    pdb_variants(
-        output_mutations_list_txt=args.output_mutations_list_txt, properties=properties
-    )
 
+pdb_variants.__doc__ = PdbVariants.__doc__
+main = PdbVariants.get_main(pdb_variants, "Wrapper for the UNIPROT (http://www.uniprot.org/) mirror of the MMB group REST API (http://mmb.irbbarcelona.org/api/) for creating a list of all the variants mapped to a PDB code from the corresponding UNIPROT entries.")
 
 if __name__ == "__main__":
     main()

biobb_io/api/structure_info.py

@@ -2,10 +2,7 @@
 
 """Module containing the StructureInfo class and the command line interface."""
 
-import argparse
 from typing import Optional
-
-from biobb_common.configuration import settings
 from biobb_common.generic.biobb_object import BiobbObject
 from biobb_common.tools.file_utils import launchlogger
 
@@ -113,41 +110,11 @@ def structure_info(
 ) -> int:
     """Execute the :class:`StructureInfo <api.structure_info.StructureInfo>` class and
     execute the :meth:`launch() <api.structure_info.StructureInfo.launch>` method."""
+    return StructureInfo(**dict(locals())).launch()
 
-    return StructureInfo(
-        output_json_path=output_json_path, properties=properties, **kwargs
-    ).launch()
-
-
-def main():
-    """Command line execution of this building block. Please check the command line documentation."""
-    parser = argparse.ArgumentParser(
-        description="This class is a wrapper for getting all the available information of a structure from the Protein Data Bank.",
-        formatter_class=lambda prog: argparse.RawTextHelpFormatter(prog, width=99999),
-    )
-    parser.add_argument(
-        "-c",
-        "--config",
-        required=False,
-        help="This file can be a YAML file, JSON file or JSON string",
-    )
-
-    # Specific args of each building block
-    required_args = parser.add_argument_group("required arguments")
-    required_args.add_argument(
-        "-o",
-        "--output_json_path",
-        required=True,
-        help="Path to the output JSON file with all the structure information. Accepted formats: json.",
-    )
-
-    args = parser.parse_args()
-    config = args.config if args.config else None
-    properties = settings.ConfReader(config=config).get_prop_dic()
-
-    # Specific call of each building block
-    structure_info(output_json_path=args.output_json_path, properties=properties)
 
+structure_info.__doc__ = StructureInfo.__doc__
+main = StructureInfo.get_main(structure_info, "This class is a wrapper for getting all the available information of a structure from the Protein Data Bank.")
 
 if __name__ == "__main__":
     main()

{biobb_io-5.0.1.dist-info → biobb_io-5.1.1.dist-info}/METADATA

@@ -1,6 +1,6 @@
-Metadata-Version: 2.1
+Metadata-Version: 2.4
 Name: biobb_io
-Version: 5.0.1
+Version: 5.1.1
 Summary: Biobb_io is the Biobb module collection to fetch data to be consumed by the rest of the Biobb building blocks.
 Home-page: https://github.com/bioexcel/biobb_io
 Author: Biobb developers
@@ -17,14 +17,26 @@ Classifier: Operating System :: Unix
 Requires-Python: >=3.9
 Description-Content-Type: text/markdown
 License-File: LICENSE
-Requires-Dist: biobb-common==5.0.0
+Requires-Dist: biobb_common==5.1.1
+Dynamic: author
+Dynamic: author-email
+Dynamic: classifier
+Dynamic: description
+Dynamic: description-content-type
+Dynamic: home-page
+Dynamic: keywords
+Dynamic: license-file
+Dynamic: project-url
+Dynamic: requires-dist
+Dynamic: requires-python
+Dynamic: summary
 
 [![](https://img.shields.io/github/v/tag/bioexcel/biobb_io?label=Version)](https://GitHub.com/bioexcel/biobb_io/tags/)
 [![](https://img.shields.io/pypi/v/biobb-io.svg?label=Pypi)](https://pypi.python.org/pypi/biobb-io/)
 [![](https://img.shields.io/conda/vn/bioconda/biobb_io?label=Conda)](https://anaconda.org/bioconda/biobb_io)
 [![](https://img.shields.io/conda/dn/bioconda/biobb_io?label=Conda%20Downloads)](https://anaconda.org/bioconda/biobb_io)
 [![](https://img.shields.io/badge/Docker-Quay.io-blue)](https://quay.io/repository/biocontainers/biobb_io?tab=tags)
-[![](https://img.shields.io/badge/Singularity-GalaxyProject-blue)](https://depot.galaxyproject.org/singularity/biobb_io:5.0.1--pyhdfd78af_0)
+[![](https://img.shields.io/badge/Singularity-GalaxyProject-blue)](https://depot.galaxyproject.org/singularity/biobb_io:5.1.1--pyhdfd78af_0)
 
 [![](https://img.shields.io/badge/OS-Unix%20%7C%20MacOS-blue)](https://github.com/bioexcel/biobb_io)
 [![](https://img.shields.io/pypi/pyversions/biobb-io.svg?label=Python%20Versions)](https://pypi.org/project/biobb-io/)
@@ -62,7 +74,7 @@ The latest documentation of this package can be found in our readthedocs site:
 [latest API documentation](http://biobb-io.readthedocs.io/en/latest/).
 
 ### Version
-v5.0.1 2024.2
+v5.1.1 2025.1
 
 ### Installation
 Using PIP:
@@ -71,7 +83,7 @@ Using PIP:
 
 * Installation:
 
-        pip install "biobb_io==5.0.1"
+        pip install "biobb_io==5.1.1"
 
 * Usage: [Python API documentation](https://biobb-io.readthedocs.io/en/latest/modules.html)
 
@@ -79,7 +91,7 @@ Using ANACONDA:
 * Installation:
 
 
-        conda install -c bioconda "biobb_io==5.0.1"
+        conda install -c bioconda "biobb_io==5.1.1"
 
 
 * Usage: With conda installation BioBBs can be used with the [Python API documentation](https://biobb-io.readthedocs.io/en/latest/modules.html) and the [Command Line documentation](https://biobb-io.readthedocs.io/en/latest/command_line.html)
@@ -88,12 +100,12 @@ Using DOCKER:
 * Installation:
 
 
-        docker pull quay.io/biocontainers/biobb_io:5.0.1--pyhdfd78af_0
+        docker pull quay.io/biocontainers/biobb_io:5.1.1--pyhdfd78af_0
 
 * Usage:
 
 
-        docker run quay.io/biocontainers/biobb_io:5.0.1--pyhdfd78af_0 <command>
+        docker run quay.io/biocontainers/biobb_io:5.1.1--pyhdfd78af_0 <command>
 
 
 The command list and specification can be found at the [Command Line documentation](https://biobb-io.readthedocs.io/en/latest/command_line.html).
@@ -105,7 +117,7 @@ Using SINGULARITY:
 * Installation:
 
 
-        singularity pull --name biobb_io.sif https://depot.galaxyproject.org/singularity/biobb_io:5.0.1--pyhdfd78af_0
+        singularity pull --name biobb_io.sif https://depot.galaxyproject.org/singularity/biobb_io:5.1.1--pyhdfd78af_0
 
 
 * Usage:
@@ -118,10 +130,10 @@ Using SINGULARITY:
 The command list and specification can be found at the [Command Line documentation](https://biobb-io.readthedocs.io/en/latest/command_line.html).
 
 ### Copyright & Licensing
-This software has been developed in the [MMB group](http://mmb.irbbarcelona.org) at the [BSC](http://www.bsc.es/) & [IRB](https://www.irbbarcelona.org/) for the [European BioExcel](http://bioexcel.eu/), funded by the European Commission (EU H2020 [823830](http://cordis.europa.eu/projects/823830), EU H2020 [675728](http://cordis.europa.eu/projects/675728)).
+This software has been developed in the [MMB group](http://mmb.irbbarcelona.org) at the [BSC](http://www.bsc.es/) & [IRB](https://www.irbbarcelona.org/) for the [European BioExcel](http://bioexcel.eu/), funded by the European Commission (EU Horizon Europe [101093290](https://cordis.europa.eu/project/id/101093290), EU H2020 [823830](http://cordis.europa.eu/projects/823830), EU H2020 [675728](http://cordis.europa.eu/projects/675728)).
 
-* (c) 2015-2024 [Barcelona Supercomputing Center](https://www.bsc.es/)
-* (c) 2015-2024 [Institute for Research in Biomedicine](https://www.irbbarcelona.org/)
+* (c) 2015-2025 [Barcelona Supercomputing Center](https://www.bsc.es/)
+* (c) 2015-2025 [Institute for Research in Biomedicine](https://www.irbbarcelona.org/)
 
 Licensed under the
 [Apache License 2.0](https://www.apache.org/licenses/LICENSE-2.0), see the file LICENSE for details.

biobb_io-5.1.1.dist-info/RECORD

@@ -0,0 +1,25 @@
+biobb_io/__init__.py,sha256=yuyKuMxXekhEdVhlQAADYrFWmGfm2YyXpYKUdIDHuvc,77
+biobb_io/py.typed,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
+biobb_io/api/__init__.py,sha256=s4K59-8EX7yX2qBtB8717ynIEjQ0lVNTp0BDSoc_raM,558
+biobb_io/api/alphafold.py,sha256=EsUHtbypku6rNtMaDrnKf3KLoanuOOB0LOZOnenmoP0,4371
+biobb_io/api/api_binding_site.py,sha256=2n2iPJozRKBZ7N_6nEibt8bx58Tp2TTzKpH5g6L5_7c,4819
+biobb_io/api/canonical_fasta.py,sha256=ohuVq410Vk_OvnMVYxReb9QUuce3Ki3FFhV_DJhKZW8,4753
+biobb_io/api/common.py,sha256=KY3ayHCaGBe9zTLDdDc_wK13xXeIaEHTegeWPR2t02M,15766
+biobb_io/api/ideal_sdf.py,sha256=BKpFIPcZ8vV6ayQXCmP3Kt_rcQf3ltQCRTtcCqGHriE,4566
+biobb_io/api/ligand.py,sha256=pMd5wvYqYNlVYT5MatrX346whVfwYY58B2RR_FqEwhE,4610
+biobb_io/api/mddb.py,sha256=J5qgudIQEeE9-UXwjFPQAiFkc7aHXVMMG7Z_j2Dj3yI,7067
+biobb_io/api/memprotmd_sim.py,sha256=UKgc4UJPukjmBwelVcKbFqGqQhA9BOtfrlJiHf_aW5Q,4120
+biobb_io/api/memprotmd_sim_list.py,sha256=WOg4YqWfMvIAgz_19oZ-8asKJnFv8MmRfz0t5ZQhUZo,4059
+biobb_io/api/memprotmd_sim_search.py,sha256=vWfBxNYCmGwGyzTpHnmnuwQ39ZXWO8T0MhdjGjGgZr4,6419
+biobb_io/api/mmcif.py,sha256=M8Tlto6d2hLTUwZGo6zIUGO5bzN6ZwMqYoiMMu1b-rM,4628
+biobb_io/api/pdb.py,sha256=uRCMPSvuOSUObMsxlRC513wJ2bmFEh9P8FPtG30yfp0,4975
+biobb_io/api/pdb_cluster_zip.py,sha256=9s_HXWep7X3h-kNq1cYbadXgDmsAlG8_Sat0q0snyDA,6633
+biobb_io/api/pdb_variants.py,sha256=BGIbsHl64IANiq2R39dycIxBRGPjm3u1oGpTyeWQ2nA,6707
+biobb_io/api/structure_info.py,sha256=aoh_Do7QipPgsse7ay-nlddeGCrK-YEjUHbg1Q21HgE,4443
+biobb_io/test/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
+biobb_io-5.1.1.dist-info/licenses/LICENSE,sha256=z8d0m5b2O9McPEK1xHG_dWgUBT6EfBDz6wA0F7xSPTA,11358
+biobb_io-5.1.1.dist-info/METADATA,sha256=LTPhHWFk9SzHSC-AxEUmkmrGU8wdoAvhSlTRHJfFxxc,7049
+biobb_io-5.1.1.dist-info/WHEEL,sha256=CmyFI0kx5cdEMTLiONQRbGQwjIoR1aIYB7eCAQ4KPJ0,91
+biobb_io-5.1.1.dist-info/entry_points.txt,sha256=dDYvVClLKe_Aa3HaMm-7WuS2d16FKGxlnKl816Cf5T4,644
+biobb_io-5.1.1.dist-info/top_level.txt,sha256=1VPldlX2AnFaqODGFJK10WN8AOQuulpX88bLSaQdoS8,9
+biobb_io-5.1.1.dist-info/RECORD,,

{biobb_io-5.0.1.dist-info → biobb_io-5.1.1.dist-info}/WHEEL

@@ -1,5 +1,5 @@
 Wheel-Version: 1.0
-Generator: setuptools (75.1.0)
+Generator: setuptools (78.1.0)
 Root-Is-Purelib: true
 Tag: py3-none-any
 

{biobb_io-5.0.1.dist-info → biobb_io-5.1.1.dist-info}/entry_points.txt

@@ -4,6 +4,7 @@ api_binding_site = biobb_io.api.api_binding_site:main
 canonical_fasta = biobb_io.api.canonical_fasta:main
 ideal_sdf = biobb_io.api.ideal_sdf:main
 ligand = biobb_io.api.ligand:main
+mddb = biobb_io.api.mddb:main
 memprotmd_sim = biobb_io.api.memprotmd_sim:main
 memprotmd_sim_list = biobb_io.api.memprotmd_sim_list:main
 memprotmd_sim_search = biobb_io.api.memprotmd_sim_search:main

biobb_io-5.0.1.dist-info/RECORD

@@ -1,24 +0,0 @@
-biobb_io/__init__.py,sha256=5fB4i9qgGOZ0ZrZRiZrdxgVxzntL56ErhlDSvnqqnP8,77
-biobb_io/py.typed,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
-biobb_io/api/__init__.py,sha256=fR17sA2mh78x2NoyM25XN3vlsjka4aNubzaP4SvpCDc,538
-biobb_io/api/alphafold.py,sha256=e_5N0yntKTjI-Sd9cM1IGv56FwlD1HqeODXooSLmSBg,5402
-biobb_io/api/api_binding_site.py,sha256=cu6McFh1e75J8JMaZHjnfiK2ljQVOsREsXH3ZvOyUyU,5884
-biobb_io/api/canonical_fasta.py,sha256=DTwvoV8yY_xX_X3E9PbhucNaLk21jJ-K_34db1p9SOU,5785
-biobb_io/api/common.py,sha256=TQD3oSWL-WtXxJHnNp9469Iun-REqFeAb8dmKWU3UJc,13384
-biobb_io/api/ideal_sdf.py,sha256=MxNiFLoQU0tF7k3mztDYHkIpmZ5s9Z0p4BI-NlTW7Dc,5599
-biobb_io/api/ligand.py,sha256=_iFZWxuMPz2c0IOQPpeaBsvjsFcOr0wqtf0c6QICX2M,5654
-biobb_io/api/memprotmd_sim.py,sha256=bnZFaAMkMIYzS75VognyNh0H8F5gZCwQM1ErhLrrtWw,5167
-biobb_io/api/memprotmd_sim_list.py,sha256=zFsaM-d2efmiWPbMEMFEUmKKet9P18O4-7XsMxgh3a4,5099
-biobb_io/api/memprotmd_sim_search.py,sha256=_bTzx552Sn2GiogGojWL5uR8mPNsgJwEUxA9P_jgiKE,7452
-biobb_io/api/mmcif.py,sha256=kntBTLcWpxAubyjtSMEokP7ZyzmTWRyx36zqCEfnVgg,5690
-biobb_io/api/pdb.py,sha256=mpaMklW3N5avUO08W3bB75cPRfPHcRccDB8TaG-xLF8,6024
-biobb_io/api/pdb_cluster_zip.py,sha256=eml2QmX0NTUk8YkEwDPqSPu3ZjTtBqYUVl9r4eWtFzs,7749
-biobb_io/api/pdb_variants.py,sha256=GbovaDIQZQDPiSQaHp1ohr_Ds3eucdkdLR7bcW3c7Q4,7969
-biobb_io/api/structure_info.py,sha256=VKy9lxMTpbkGMuxWoEwP9NLwdw8AapLFutHs8J0qgjA,5503
-biobb_io/test/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
-biobb_io-5.0.1.dist-info/LICENSE,sha256=z8d0m5b2O9McPEK1xHG_dWgUBT6EfBDz6wA0F7xSPTA,11358
-biobb_io-5.0.1.dist-info/METADATA,sha256=fbV5Ca_iWW37qv4RVIsre4cCvwBx7BPtwUGWduZBsk4,6713
-biobb_io-5.0.1.dist-info/WHEEL,sha256=GV9aMThwP_4oNCtvEC2ec3qUYutgWeAzklro_0m4WJQ,91
-biobb_io-5.0.1.dist-info/entry_points.txt,sha256=UdQz4F28f13ergWXqKMrx15mH05nX7G85xBaP8W2Wdw,614
-biobb_io-5.0.1.dist-info/top_level.txt,sha256=1VPldlX2AnFaqODGFJK10WN8AOQuulpX88bLSaQdoS8,9
-biobb_io-5.0.1.dist-info/RECORD,,