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How to install propka via python pip




propka - Heuristic pKa calculations with ligands, it belongs to Classifiers:

- Development Status :: 6 - Mature
- License :: OSI Approved :: GNU Lesser General Public License v2 (LGPLv2)
- Operating System :: MacOS
- Operating System :: MacOS :: MacOS X
- Operating System :: Microsoft
- Topic :: Scientific/Engineering :: Bio-Informatics
- Topic :: Scientific/Engineering :: Chemistry

When you know about this project and you want to new install propka to support your project or you get trouble as ModuleNotFoundError: No module named "propka" or ImportError: cannot import name "propka" in your project, let follow this tutorial to install propka



Installation:

Step 1: First, ensure you installed pip in your os, to check pip has been installed on your computer

In Windows (CMD):

py -m pip --version

In Unix/macOS:

python3 -m pip --version

Ensure pip, setuptools, and wheel are up to date:

In Windows (CMD):

py -m pip install --upgrade pip setuptools wheel

In Unix/macOS:

python3 -m pip install --upgrade pip setuptools wheel


Optional - If you want to install in virtual environment:

In Windows (CMD):

- Install virtualenv - if you installed it, please ignore

py -m pip install --user virtualenv

- Create a virtual environment

py -m venv test_propka_env

- Active the virtual environment

test_propka_env\Scripts\active

In Unix/macOS:

- Install virtualenv - if you installed it, please ignore

pip3 install virtualenv

- Create a virtual environment

python3 -m venv test_propka_env

- Active the virtual environment

source test_propka_env/bin/active


Step 2: OK, now, let flow below content to start the installation propka

To install propka on Windows(CMD):

py -m pip install propka

To install propka on Unix/macOs:

pip install propka


Step 3: If you want to install a specific propka version, add ==<propka version> to the end command line

Example:

pip install propka==3.1.0


Please see the version list below table:

VersionReleased dateCommand
propka 3.4.02020-12-19T22:48:14Windows:

py -m pip install propka==3.4.0

Unix/macOs:

pip install propka==3.4.0

propka 3.3.02020-07-18T21:22:12Windows:

py -m pip install propka==3.3.0

Unix/macOs:

pip install propka==3.3.0

propka 3.2.02020-06-19T15:23:23Windows:

py -m pip install propka==3.2.0

Unix/macOs:

pip install propka==3.2.0

propka 3.1.02019-05-04T09:13:49Windows:

py -m pip install propka==3.1.0

Unix/macOs:

pip install propka==3.1.0


Step 4: Otherwise, you can install propka from local archives:

Download the distribution file from propka-3.4.0.tar.gz or the specific propka version in the below list of distribution

After that, install by command:

On Windows(CMD):

py -m pip install <path_to_propka_downloaded_file>

On Unix/macOs:

pip install <path_to_propka_downloaded_file>


List distribution:


Project link:

- Homepage