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This plugin provide a wrapper for Model angelo which allows de novo atomic modelling

Installation

  1. Stable version

scipion3 installp -p scipion-em-modelangelo
  1. 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

Metadata

Release files for scipion-em-modelangelo 3.1.1

For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.

Source distribution (sdist)

Source distribution for scipion-em-modelangelo 3.1.1
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scipion-em-modelangelo-3.1.1.tar.gz 48.3 kB Details

Built distribution (wheel)

Table of built distributions (wheels) for scipion-em-modelangelo 3.1.1
File Interpreter ABI Platform
scipion_em_modelangelo-3.1.1-py3-none-any.whl Python 3 none any Details

Total release size: 99.5 kB

Release files / scipion-em-modelangelo-3.1.1.tar.gz

Download URL scipion-em-modelangelo-3.1.1.tar.gz
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Release files / scipion_em_modelangelo-3.1.1-py3-none-any.whl

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3.1.1 This release

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