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Fixup PDB reading with non-standard MD files (no element column) #1450

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merged 2 commits into from
Nov 13, 2023

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Also adjust "select water" to better handle bonds to extra sites (e.g., H-O-H plus extra atom for water model)

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Also adjust "select water" to better handle bonds to extra sites
(e.g., H-O-H plus extra atom for water model)

Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
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Here are the build results
Avogadro2.AppImage
macOS.dmg
Win64.exe
Artifacts will only be retained for 90 days.

Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
@ghutchis ghutchis added bug file-format relevant to IO file formats labels Nov 13, 2023
@ghutchis ghutchis merged commit a6caf29 into OpenChemistry:master Nov 13, 2023
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@ghutchis ghutchis deleted the fixup-pdb-water branch November 13, 2023 20:21
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