fr3d-python

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This makes the version different based on how you install

otienoanyango

Hello, Just wrote a small modification of one of the NA annotation functions to serve my purposes and thought it could be helpful to others. Usage: ```python from fr3d.classifiers.NA_pairwise_interactions import...

cgoliver

#36 Update to packaging configuration

1

`[tools.setuptools]` section in `pyproject.toml` has `include_package_data=True` by default hence no need to specify it. The `license` field requires specific license syntax as per PEP 639. Ref: https://setuptools.pypa.io/en/latest/userguide/pyproject_config.html

otienoanyango

Non PEP-639 compliant syntax

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https://github.com/BGSU-RNA/fr3d-python/blob/6e88eb7d40088bac32b2cca8211ee47e3a1019b7/setup.py#L11 The license file referenced above does not exist. Leads to ```bash pip install git+https://github.com/BGSU-RNA/fr3d-python.git@master#egg=fr3d Collecting fr3d Cloning https://github.com/BGSU-RNA/fr3d-python.git (to revision master) to /private/var/folders/16/r6_c0c0x7_x5pcq7t35m48y00000gp/T/pip-install-vg39no_p/fr3d_22d5b374ecce4c27af26df2dd279497f Running command git clone --filter=blob:none --quiet...

otienoanyango

With this commit, every time you push new code into the `master` branch or create a pull request against it, GitHub will handle the testing process. It will create a...

tzok

What would be the best way of recovering the full backbone connections and their direction (previously B53 and B35). I tried for PDBID: 1F5U with the following arguments: ``` python...

cgoliver

ImportError: cannot import name 'parent_atom_to_modified' from 'fr3d.data.mapping'

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Hi, I have been trying to run the latest version as I usually do : `python ./fr3d-python/fr3d/classifiers/NA_pairwise_interactions.py --input ../Data/CIF/1S72.cif --output . --category basepair,stacking` but I get the following import problem...

vreinharz

Possible missing file

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Thank you for this great tool, it's something that has been on my wishlist for a long time. Running the pairwise interaction script with just the `--help` argument throws a...

cgoliver

Versioning and Publishing to PyPI

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Thank you for the beautiful work done in maintaining this very useful tool. I was wondering if you could implement versioning via tags. This is in lieu of packaging and...

otienoanyango

Bumps [scipy](https://github.com/scipy/scipy) from 1.2.3 to 1.10.0. Release notes Sourced from scipy's releases. SciPy 1.10.0 Release Notes SciPy 1.10.0 is the culmination of 6 months of hard work. It contains many...

dependabot[bot]