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Redraw structural diagrams #181

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stulacy opened this issue Sep 15, 2023 · 1 comment
Open

Redraw structural diagrams #181

stulacy opened this issue Sep 15, 2023 · 1 comment
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enhancement New feature or request

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@stulacy
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stulacy commented Sep 15, 2023

It would be useful to redraw structural diagrams for many reasons:

  • Get SVGs rather than PNGs
  • Currently the diagrams aren't a uniform size or aspect ratio
  • The CRI is lacking diagrams for several species
  • There are some potential inconsistencies, such as Crossed double-bonds in structural drawings indicate possible different orientation, which is technically incorrect in some cases

Look at using PyMol or openbabel to automate this

@stulacy
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stulacy commented Jan 2, 2024

This would provide the opportunity to close #115 too.

@stulacy stulacy added the enhancement New feature or request label Jan 2, 2024
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