Scipion plugin for modelangelo.
Project description
This plugin provide a wrapper for Model angelo which allows de novo atomic modelling
Installation
Stable version
scipion3 installp -p scipion-em-modelangelo
Developer’s version
download repository
git clone https://github.com/scipion-em/scipion-em-modelangelo.git
install
scipion3 installp -p path_to_scipion-em-modelangelo --devel
Modelangelo will be installed automatically with the plugin using a Conda environment.
Configuration variables
There are some variables related to the model-angelo installation. If you have installed model-angelo within Scipion, you may define MODEL_ANGELO_ENV_ACTIVATION for specifying how to activate the environment. This variable with be used together with the general conda activation to generate the final model-angelo command. For example:
MODEL_ANGELO_ENV_ACTIVATION = conda activate model_angelo
If this variable is not defined, a default value will be provided that will work if the latest version is installed.
If model-angelo is installed already outside Scipion, one could define MODEL_ANGELO_ACTIVATION. This variable will provide an activation (or load) command that can be anything and the Scipion conda activate will not be prepended. For example (loading model-angelo as a module):
MODEL_ANGELO_ACTIVATION = module load model-angelo/main
If you need to use CUDA different from the one used during Scipion installation (defined by CUDA_LIB), you can add MODEL_ANGELO_CUDA_LIB variable to the config file.
Protocols
Model builder
Tests
scipion3 tests modelangelo.tests.tests_model_angelo.TestModelAngel
Project details
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Source Distribution
Built Distribution
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