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Add halogen and chalcogen bonds, tune parameters #949

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merged 2 commits into from
Jun 16, 2022

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aerkiaga
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It adds both halogen and chalcogen bonds, which are displayed under some pretty arbitrary conditions (must have look at it eventually). I also increased the default angle tolerance to 40 degrees, and distance to 3.0 Å, and changed close contacts' color to a shade of gray so it contrasts more easily with the new types of bonds.

Signed-off-by: Aritz Erkiaga aerkiaga3@gmail.com

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Signed-off-by: Aritz Erkiaga <aerkiaga3@gmail.com>
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Screenshot from 2022-06-14 23-54-37

Should look like this.

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Here are the build results
macOS-arm64.dmg
Artifacts will only be retained for 90 days.

@ghutchis ghutchis added the enhancement feature changes / API changes label Jun 15, 2022
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Here are the build results
Avogadro2.AppImage
macOS.dmg
Ubuntu-2004.tar.gz
Win64.exe
Artifacts will only be retained for 90 days.

Signed-off-by: Aritz Erkiaga <aerkiaga3@gmail.com>
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Here are the build results
Avogadro2.AppImage
macOS.dmg
Ubuntu-2004.tar.gz
Win64.exe
Artifacts will only be retained for 90 days.

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Here are the build results
macOS-arm64.dmg
Artifacts will only be retained for 90 days.

@ghutchis ghutchis merged commit 7ed0d3c into OpenChemistry:master Jun 16, 2022
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Here are the build results
Avogadro2.AppImage
macOS.dmg
Ubuntu-2004.tar.gz
Win64.exe
Artifacts will only be retained for 90 days.

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2 participants