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pdb-profiling

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    pdb-profiling

Profiling Protein Structures from Protein Data Bank and integrate various resources.🏄‍♂️


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pdb-profiling

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Profiling Protein Structures from Protein Data Bank and integrate various resources.

Features

  • Collection: Implement various API to collect the well-organized metadata of PDB in real time.
  • Integration: Provide a unified call for API-interface and return-data-form as well as subsequent data processing.
  • Detection: Reorganize metadata to evaluate a PDB structure in Entry-Assembly/Model-Entity-Chain-Residue level and integrated with UniProt-KB.
  • Interaction: Include UniProt Isoform Interaction in Asymmetric unit plus Biological Assembly level.
  • Selection: Define the representative set of PDB structures in Monomeric|Homomeric|Heteromeric states.
  • Mapping: Provide interface for both entry-identifier/accession-level and residue-level bidirectional mapping.

Install

Notice: require Python Environment >= 3.7, Platform Independent

Install by pip command.

*Before your Installation

  • Make sure that your 64-bit machine is installed with 64-bit Python.
  • To avoid some unexpected issues, you should upgrade your pip beforehand:
python -m pip install --upgrade pip

Official Installation

python -m pip install pdb-profiling

If you have already installed an older version of pdb-profiling, use the following command to install the latest version:

python -m pip install --upgrade pdb-profiling

Build From Source (optional, for non-windows environment)

python -m pip install cython
python -m pip install numpy
git clone https://github.com/NatureGeorge/pdb-profiling.git
python setup.py build_ext --inplace  # Need GCC or Other Compiler For C
python setup.py install              # or "sudo python setup.py install" or "python setup.py install --user"

Documentation

https://pdb-profiling.netlify.app/

Examples

Basic Usage

Large-Scale-Example

Resources

  • PDBe Entry-Based API
  • PDBe Aggregated API (PDBe Graph API)
  • PDBe ModelServer API
  • SWISS-MODEL Repository API
  • UniProt API
  • EBI Proteins API
  • RCSB Data API
  • RCSB Search API
  • Eutils API (minimum usage)
  • ...

click here for more details

Using similar data resources but meant to achieve different goals.

Click to view

This project is developed by Zefeng Zhu and hold by Minghui Group.

License

The pdb_profiling.cython.py_qcprot module is derived from the cython wrapper contributed by Bernhard Thiel and is distributed under the terms of a BSD-3-Clause License. And it also contains the dependent C-code from http://theobald.brandeis.edu/QCP/ written by Pu Liu and Douglas Theobald (with slight modification by Bernhard Thiel) and is licensed under a BSD-3-Clause License.

The pdb_profiling is distributed under the terms of the MIT License.

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