First, you need to have a Linux environment with MedØlDatschgerl (MØD) version 0.8.0 or bigger. Assuming you have Docker installed, then just pull the image:
docker pull waldeyr/mod_v0.8.0:v1.0
Clone this repository repositório
git clone https://github.com/waldeyr/2PathTerpenes.git && cd 2PathTerpenes
Run the code:
docker run --rm --volume $(pwd):/home/shared/ --workdir /home/shared/ waldeyr/mod_v0.8.0:v1.0 /home/mod-v0.8.0/bin/mod -f /home/shared/molecules.py -f /home/shared/simulation.py -f /home/shared/printer.py
The simulation.py is generated by the index.html
Exploring Plant Sesquiterpene Diversity by Generating Chemical Networks
Assumindo que o Docker esteja instalado em um ambiente Linux, baixar a imagem Docker:
docker pull waldeyr/mod_v0.8.0:v1.0
Clonar este repositório em seu computador
git clone https://github.com/waldeyr/2PathTerpenes.git
Entrar na pasta
cd 2PathTerpenes
Rodar o Docker em modo interativo compartilhando a pasta local atual (pwd) com a pasta shared do container
docker run --rm -v $(pwd):/home/shared -it waldeyr/mod_v0.8.0:v1.0 bash
Ou simplesmente rodar o script no Docker sem "entrar" no container
docker run --rm --volume $(pwd):/home/shared/ --workdir /home/shared/ waldeyr/mod_v0.8.0:v1.0 /home/mod-v0.8.0/bin/mod -f /home/shared/molecules.py -f /home/shared/simulation.py -f /home/shared/printer.py
P.S. The old version is here
P.S. A versão antiga está aqui