Installing¶

Note

We are assuming you have a working mamba installation in your computer. If this is not the case, please refer to their official documentation.

If you installed mamba into an existing conda installation, also make sure that the conda-forge channel is configured by running conda config --add channels conda-forge.

Install from the conda package¶

Create a new conda environment for TeachOpenCADD:

# Linux / MacOS
mamba create -n teachopencadd teachopencadd

# Windows
mamba create -n teachopencadd teachopencadd -c conda-forge -c defaults

Activate the new environment:
```
conda activate teachopencadd
```
Run teachopencadd -h to test that it works.
Run teachopencadd start . to set up a new workspace.

Install from the latest development snapshot¶

Create a new conda environment and activate it:

mamba env create -f https://raw.githubusercontent.com/volkamerlab/TeachOpenCADD/master/devtools/test_env.yml
conda activate teachopencadd

Download a zipfile of the repository using this link.
Unzip to your location of choice.
Navigate to your location.
Start Jupyter Lab.
Double click on the lesson you want to start.

Steps 2 to 5 are summarized below.

Instructions for Linux / MacOS

wget https://github.com/volkamerlab/teachopencadd/archive/master.zip -O teachopencadd.zip
mkdir -p ~/Documents
unzip teachopencadd.zip -d ~/Documents
cd ~/Documents/teachopencadd-master/teachopencadd/talktorials
jupyter lab

Instructions for Windows (PowerShell)

wget https://github.com/volkamerlab/teachopencadd/archive/master.zip -O teachopencadd.zip
mkdir ~/Documents/
Expand-Archive teachopencadd.zip -d ~/Documents
cd ~/Documents/teachopencadd-master/teachopencadd/talktorials
jupyter lab