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Update the Open Babel API in Avogadro #886

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psavery
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@psavery psavery commented Nov 23, 2017

Several changes have been made to the Open Babel API
which results in errors in the Avogadro compilation with
an updated Open Babel. This fixes our API issues.

Several changes have been made to the Open Babel API
which results in errors in the Avogadro compilation with
an updated Open Babel. This fixes our API issues.
@psavery
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psavery commented Nov 23, 2017

FYI: this is currently incomplete. It DOES compile. But it has a few issues. Two issues I have noticed so far:

  1. It isn't automatically adding hydrogens correctly.
  2. The camera seems to think the atoms are bigger than they are. It zooms out a ton when you draw close to the edges.

For Avogadro 1.3, do you want to use the most up-to-date Open Babel (so that we need to update the Open Babel API)? If you don't, I can just abandon this. But let me know if you do, and I'll try to fix those bugs.

@ghutchis
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I'm unsure about using the latest OB API, since it's not backwards compatible. I'm thinking it will be declared as OB-3.0. It's certainly a lot faster for many tasks, but I'm not sure how quickly it will be packaged by Linux distributions.

Let's keep this branch here - I appreciate the work on this.

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