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Fix meta
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agdiaz committed Jul 9, 2024
1 parent 4872a45 commit 4837459
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26 changes: 16 additions & 10 deletions recipes/constava/meta.yaml
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sha256: 25b3c6f1cacdb19e3352192ff3a0318782fcf071cee8a863bd806beb23a8ab74

build:
number: 0
entry_points:
- constava = constava.__main__:main
noarch: python
script: {{ PYTHON }} -m pip install . -vv
number: 0
script: "{{ PYTHON }} -m pip install . --ignore-installed --no-deps -vv"
run_exports:
- {{ pin_subpackage('constava', max_pin="x") }}

requirements:
host:
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test:
imports:
- constava
- constava.Constava
commands:
- constava --help

about:
home: https://bio2byte.be
summary: This software is used to calculate conformational states probability & conformational state variability from a protein structure ensemble.
summary: Calculate conformational states probability and variability from a protein structure ensemble
description: |
ConStaVa is a tool for the probabilistic interpretation of large conformational ensembles (e.g. from MD simulations or for intrinsically disordered proteins).
Through analysis of phi/psi angle distributions, it detects six conformational states and calculates the associated 'conformational state variability'.
It so moves away from traditional fixed secondary structure interpretation of models to a more ensemble-oriented interpretation that is useful for dynamic regions of proteins.
Contact (via email): [email protected]
ConStaVa is a tool for the probabilistic interpretation of large conformational ensembles
(e.g. from MD simulations or for intrinsically disordered proteins). Through analysis of
phi/psi angle distributions, it detects six conformational states and calculates the associated
'conformational state variability'. It so moves away from traditional fixed secondary structure
interpretation of models to a more ensemble-oriented interpretation that is useful for dynamic
regions of proteins.
Contact (via email): [email protected]
license: GPLv3
license_file: LICENSE
dev_url: https://bitbucket.org/bio2byte/rrmscorer/
dev_url: https://github.com/bio2byte/constava
doc_url: https://pypi.org/project/constava/
doc_source_url: https://bitbucket.org/bio2byte/rrmscorer/src/master/readme.md
doc_source_url: https://github.com/Bio2Byte/constava/blob/main/README.md

extra:
author: Wim Vranken ([email protected]), Jose Gavalda-Garcia ([email protected]), David Bickel ([email protected]), Joel Roca-Martinez ([email protected]), Daniele Raimondi ([email protected]), Gabriele Orlando ([email protected])
author: Wim Vranken <[email protected]>, Jose Gavalda-Garcia <[email protected]>, David Bickel <[email protected]>, Joel Roca-Martinez <[email protected]>, Daniele Raimondi <[email protected]>, Gabriele Orlando <[email protected]>
recipe-maintainers:
- Adrián Díaz <[email protected]> (@agdiaz)
- David Bickel <[email protected]> (@aethertier)
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