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@j-wags j-wags released this 25 Jun 15:25
· 40 commits to master since this release
1.0.9
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Learn about vigilant mode.

Addresses #89: Fixes torsion t56, where SMIRKS [!1:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[*:4] should be [!#1:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[*:4]. The first means "not an isotope with mass 1" (!1), but we intend for it to apply to all hydrogens, so it has been changed to !#1.

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