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Include pymol scripts in download #1633

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mwinokan opened this issue Jan 20, 2025 · 3 comments
Open

Include pymol scripts in download #1633

mwinokan opened this issue Jan 20, 2025 · 3 comments
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2024-10-31 oscars WP1 OSCARS grant WP/task 1 frontend

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@mwinokan
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Daren has created a Pymol script which should be included with every Fragalysis download. I have placed it in a repository: https://github.com/xchem/fragalysis-pymol-scripts

Please could all Fragalysis downloads include these under /scripts/pymol. If a tagging/release system is required/preferred then let's do that.

@kaliif
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kaliif commented Jan 20, 2025

  • @mwinokan all downloads meaning both LHS and RHS downloads?
  • Is it sufficient to include this as a static resource or should the BE pull the script from the repo each time to ensure it's fresh?
  • What about license, include them?

@mwinokan
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Thanks @kaliif.

  • Apologies it should be LHS downloads only for now
  • It needs to be a 'fresh' copy with every download so that the overhead to improving/adding scripts is minimal. If it is not a big performance hit, maybe there can be a pull/clone triggered with every LHS download, but it is probably more sensible to compare the commit hash / github release with a cached version first.
  • Do you mean the LICENSE file in the repo? Please include all the files so that it can be self-documenting

@kaliif kaliif moved this from OSCARS to In staging - assess function vs spec in Fragalysis Jan 23, 2025
@mwinokan
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mwinokan commented Jan 28, 2025

Thanks @kaliif. This is ready for production

@mwinokan mwinokan moved this from In staging - assess function vs spec to Approved in staging - push to production in Fragalysis Jan 28, 2025
@mwinokan mwinokan moved this from Approved in staging - push to production to In production (Done) in Fragalysis Jan 30, 2025
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Labels
2024-10-31 oscars WP1 OSCARS grant WP/task 1 frontend
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