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Patch/improved abbr labels #237

Merged
merged 6 commits into from Sep 17, 2016
Merged

Patch/improved abbr labels #237

merged 6 commits into from Sep 17, 2016

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johnmay
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@johnmay johnmay commented Sep 16, 2016

Some nice tweaks to abbreviations, I do want to replace the algorithm with a more general reduction one (currently dictionary based) but this is a step in the right direction. Added support for non-terminal labels, iff attachment is to single atom, PEG=no, SO2=yes. Further contract abbreviations next to other hetero atoms, Boc may be in the dictionary but not >NBoc, =NBoc, or NHBoc - we can now however generate these through relaxing adjacent abbreviations.

OnBu

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SO2

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NBoc

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@egonw
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egonw commented Sep 17, 2016

Interesting!

@egonw egonw merged commit 0ce6a8a into master Sep 17, 2016
@johnmay johnmay deleted the patch/improved-abbr-labels branch February 12, 2017 21:48
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