AutoDock-Vina icon indicating copy to clipboard operation
AutoDock-Vina copied to clipboard

issue installing vina with pip into conda environment

Open meservey opened this issue 2 years ago • 3 comments

Hi, I've tried the following commands to install vina, taken directly from the Installation Tutorial.

$ conda create -n vina python=3
$ conda activate vina
$ conda config --env --add channels conda-forge
$ conda install -c conda-forge numpy swig boost-cpp sphinx sphinx_rtd_theme
$ pip install vina
$ which vina
$ vina

I get no response to 'which vina' and the following error to 'vina': -bash: vina: command not found

I have tried using different versions of python (3.10, 3.7, 3.9.7) and running on both OSX and Linux.

meservey avatar Sep 15 '22 21:09 meservey

Hi, pip install is to run Vina from Python. The executables are available on the releases page here on GitHub.

diogomart avatar Sep 15 '22 22:09 diogomart

The

Hello , I'm trying to install an external app for usage from python , and it's one of the installments steps can I skip this safely ? how I can check if its installed . do I need to add it to the system environment variable path? , thanks .

PrestigeDevop avatar Oct 19 '22 23:10 PrestigeDevop

@PrestigeDevop I'm not sure I understood your question. Importing vina successfully in a Python interpreter usually means the Python bindings are installed correctly:

import vina

diogomart avatar Oct 25 '22 18:10 diogomart