#Anaconda create environment from yaml file install
Run the Python Package Installer to install manually the last dependency:
As VMD is an external software, macOS will ask you for permissions in order to install it.You must agree to the terms of the license: Note that although VMD software is free for academic use, it is mandatory to be registered for downloading it.Please go to the following URL and download the *.dmg file: As VMD is not available for macOS in Anaconda, we must install it manually.Once the environment has been successfully created, please follow the next steps for installing all the dependencies needed for the execution of : VMD (Visual Molecular Dynamics) Once the molywood conda environment is created, activate it:.Open your terminal and go to the folder where your environment.yml file has been downloaded and follow the next steps: The structure of this file is as follows:ĭownload the YAML file environment.yml to your computer clicking the button below:ĭownload environment.yml Create conda environment Environment creation If it doesn't work, the path must be exported:Įxport PATH=/home/USER/anaconda3/bin:$PATHįor creating a new conda environment, we need to download a YAML file with all the dependencies that must be installed into our environment. When the execution is finished, try to execute conda in the terminal window.The process of installation can last several minutes:.Double click on the *.pkg file and follow the instructions:.Be sure that the macOS tab is selected and Download Python 3.x version.
Install AnacondaĪlthough the installation can be done without using Anaconda, we strongly recommend it as it contains numpy and matplotlib as a pre-installed package. The molywood tool has been developed in Python version 3 and therefore it must be run over a Python 3 installation or environment.
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