snurr-group / mofid

A system for rapid identification and analysis of metal-organic frameworks
https://snurr-group.github.io/mofid/
GNU General Public License v2.0
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Update Open Babel #13

Closed bbucior closed 3 weeks ago

bbucior commented 5 years ago

Generating 2D line drawings in the MOFid web interface is currently buggy due to a regression in the upstream Open Babel project. https://github.com/openbabel/openbabel/pull/1902 patched this bug and needs to be incorporated into the MOFid version of Open Babel. It would also be nice to re-sync the MOFid version with the upstream project once the PR for periodic boundary conditions is merged.