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Convenience tools #13

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Kolaru opened this issue Nov 20, 2024 · 1 comment
Open

Convenience tools #13

Kolaru opened this issue Nov 20, 2024 · 1 comment

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@Kolaru
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Kolaru commented Nov 20, 2024

Currently this package provides a direct view of CIF data (which is great!).

For my (very limited) use, I have written a small script to extract the element and positions of the atoms.

Would making a PR to this repo the right way to share it ? I can imagine that it is planned to only be a low level interface to the CIF format.

@jamesrhester
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It sounds like your tool is small enough to serve as an example of how to use the package. If you were to create a PR, putting your tool into an 'Examples' subdirectory with instructions on how to run it in the README of that directory, I think it would be a nice addition.

There is also a repository julia cif tools which you could also contribute to if you prefer - it currently contains only a linter, pretty printer and comparison tool.

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