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Try webdock on the "Cloud"

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Installing webdock locally, on a Linux or Mac

git clone https://github.com/quantaosun/webdock.git
cd webdock

By downloading this repo, comes inside an environment.yml file, before you could create an identical envrionment as required, check out your conda path

conda env list

Let say the output is

/home/anaconda/env

Then modify the last line of environment.yml, the prefix path, to the output of the listed conda envs base

That is to say, it is recommanded you change prefix: /srv/conda/envs/notebook to prefix: /home/anaconda/env.

You may also want to change the env name from notebook to webdock, in the first line, it doesn't matter to our purpuse of docking, but just for being descriptive.

then create the environment by

conda env create -f environment.yml

After finishing, it is ready to go

conda activate webdock

Now launch the jupyter notebook

jupyter notebook webdock_v.0.0.2.ipynb

You should then be able to run an exactly the same notebook with the same environment settings, locally

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Open-Sourced. Easy docking in your browser without any login requirement. Post processing and interaction diagram included.

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