Redraw structural diagrams - Githubissues

wacl-york / mcm-web

Code for the MCM web application

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Redraw structural diagrams #181

Open stulacy opened 1 year ago

stulacy commented 1 year ago

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 commented 10 months ago

This would provide the opportunity to close #115 too.