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.gitinstall
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)
| File | Size | Uploaded | |
|---|---|---|---|
| scipion-em-modelangelo-3.1.1.tar.gz | 48.3 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| 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 |
|---|---|
| Size | 48.3 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
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| Upload date | |
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Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/5.0.0 CPython/3.8.18
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Release files / scipion_em_modelangelo-3.1.1-py3-none-any.whl
| Download URL | scipion_em_modelangelo-3.1.1-py3-none-any.whl |
|---|---|
| Size | 51.1 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
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| Upload date | |
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Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/5.0.0 CPython/3.8.18
|