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How to install rdkit-to-params via python pip

rdkit-to-params - Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file., it belongs to Classifiers:

- Intended Audience :: Science/Research
- Programming Language :: Python :: 3.9
- Topic :: Scientific/Engineering
- Topic :: Scientific/Engineering :: Bio-Informatics
- Topic :: Scientific/Engineering :: Chemistry

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

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_rdkit-to-params_env

- Active the virtual environment

test_rdkit-to-params_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_rdkit-to-params_env

- Active the virtual environment

source test_rdkit-to-params_env/bin/active

Step 2: OK, now, let flow below content to start the installation rdkit-to-params

To install rdkit-to-params on Windows(CMD):

py -m pip install rdkit-to-params

To install rdkit-to-params on Unix/macOs:

pip install rdkit-to-params

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

Example: 

pip install rdkit-to-params==1

Please see the version list below table:

VersionReleased dateCommand
rdkit-to-params 1.2.22022-06-09T10:24:30Windows:

py -m pip install rdkit-to-params==1.2.2

Unix/macOs:

pip install rdkit-to-params==1.2.2

rdkit-to-params 1.2.12022-05-25T18:34:53Windows:

py -m pip install rdkit-to-params==1.2.1

Unix/macOs:

pip install rdkit-to-params==1.2.1

rdkit-to-params 1.22022-04-08T09:59:51Windows:

py -m pip install rdkit-to-params==1.2

Unix/macOs:

pip install rdkit-to-params==1.2

rdkit-to-params 1.1.142021-10-17T13:28:32Windows:

py -m pip install rdkit-to-params==1.1.14

Unix/macOs:

pip install rdkit-to-params==1.1.14

rdkit-to-params 1.1.132021-10-01T10:18:21Windows:

py -m pip install rdkit-to-params==1.1.13

Unix/macOs:

pip install rdkit-to-params==1.1.13

rdkit-to-params 1.1.122021-09-27T16:59:12Windows:

py -m pip install rdkit-to-params==1.1.12

Unix/macOs:

pip install rdkit-to-params==1.1.12

rdkit-to-params 1.1.112021-09-22T14:34:25Windows:

py -m pip install rdkit-to-params==1.1.11

Unix/macOs:

pip install rdkit-to-params==1.1.11

rdkit-to-params 1.1.102021-09-21T17:21:57Windows:

py -m pip install rdkit-to-params==1.1.10

Unix/macOs:

pip install rdkit-to-params==1.1.10

rdkit-to-params 1.1.92021-09-21T16:38:28Windows:

py -m pip install rdkit-to-params==1.1.9

Unix/macOs:

pip install rdkit-to-params==1.1.9

rdkit-to-params 1.1.82021-06-16T09:18:07Windows:

py -m pip install rdkit-to-params==1.1.8

Unix/macOs:

pip install rdkit-to-params==1.1.8

rdkit-to-params 1.1.72021-05-28T09:18:33Windows:

py -m pip install rdkit-to-params==1.1.7

Unix/macOs:

pip install rdkit-to-params==1.1.7

rdkit-to-params 1.1.62021-03-22T11:03:49Windows:

py -m pip install rdkit-to-params==1.1.6

Unix/macOs:

pip install rdkit-to-params==1.1.6

rdkit-to-params 1.1.52021-02-18T16:37:58Windows:

py -m pip install rdkit-to-params==1.1.5

Unix/macOs:

pip install rdkit-to-params==1.1.5

rdkit-to-params 1.1.42021-01-02T19:18:10Windows:

py -m pip install rdkit-to-params==1.1.4

Unix/macOs:

pip install rdkit-to-params==1.1.4

rdkit-to-params 1.1.32020-11-05T15:26:57Windows:

py -m pip install rdkit-to-params==1.1.3

Unix/macOs:

pip install rdkit-to-params==1.1.3

rdkit-to-params 1.1.22020-07-21T18:10:40Windows:

py -m pip install rdkit-to-params==1.1.2

Unix/macOs:

pip install rdkit-to-params==1.1.2

rdkit-to-params 1.1.12020-07-16T19:20:35Windows:

py -m pip install rdkit-to-params==1.1.1

Unix/macOs:

pip install rdkit-to-params==1.1.1

rdkit-to-params 1.1.02020-07-16T16:20:47Windows:

py -m pip install rdkit-to-params==1.1.0

Unix/macOs:

pip install rdkit-to-params==1.1.0

rdkit-to-params 1.0.52020-07-10T14:25:28Windows:

py -m pip install rdkit-to-params==1.0.5

Unix/macOs:

pip install rdkit-to-params==1.0.5

rdkit-to-params 1.0.42020-07-02T08:55:09Windows:

py -m pip install rdkit-to-params==1.0.4

Unix/macOs:

pip install rdkit-to-params==1.0.4

rdkit-to-params 1.0.22020-06-03T18:10:04Windows:

py -m pip install rdkit-to-params==1.0.2

Unix/macOs:

pip install rdkit-to-params==1.0.2

rdkit-to-params 1.0.12020-06-02T22:32:32Windows:

py -m pip install rdkit-to-params==1.0.1

Unix/macOs:

pip install rdkit-to-params==1.0.1

rdkit-to-params 12020-06-02T22:20:31Windows:

py -m pip install rdkit-to-params==1

Unix/macOs:

pip install rdkit-to-params==1

Step 4: Otherwise, you can install rdkit-to-params from local archives:

Download the distribution file from rdkit_to_params-1.2.2.tar.gz or the specific rdkit-to-params version in the below list of distribution

After that, install by command:

On Windows(CMD):

py -m pip install <path_to_rdkit-to-params_downloaded_file>

On Unix/macOs:

pip install <path_to_rdkit-to-params_downloaded_file>

List distribution:

Project link:

- Homepage

 

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