Nucleofind Build #54
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Nucleofind Build #54
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Implement new nucleic acid building tools: NucleoFind for map prediction and NucleoFindBuild for structure refinement. Replace the Nautilus step with NucleoFind in the modelcraft X-ray pipeline.
Performed code reformatting in nucleofind_build.py file for improving readability and consistency. Adjusted indents in the constructor of the NucleoFindBuild class and also corrected the identation for elements inside the NucleoFindBuildResult return block.
Updated the superclass in Refmac.py constructor from 'refmac5' to 'refmacat'. Additionally, removed unnecessary comments from modelcraftxray.py file to improve code readability.
This commit introduces a post-install command in setup.py and increases the version from 3.6.0 to 5.0.0. It also adds nucleofind to the requirements and the installation dependencies of the package.
The previously unnamed post-installation method `__post_install` in the setup.py file was renamed to `install_nucleofind_models`. This change was made to reflect that the method is specifically responsible
This commit introduces an import of the install command from setuptools in setup.py. This is a crucial addition to properly handle package installation during the set up process.
Added os import
Previously commented-out code for sugar and base maps has been reactivated. Adjusted file paths and arguments to properly handle sugar and base maps during processing. This enhances the functionality to include additional map types in the output.
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Reopening pull request to add NucleoFind to ModelCraft