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p link: set phosphate bond angle sigmas to 1.5#68

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keitaroyam merged 1 commit intomasterfrom
p-link-angle-sigma
Mar 24, 2026
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p link: set phosphate bond angle sigmas to 1.5#68
keitaroyam merged 1 commit intomasterfrom
p-link-angle-sigma

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@keitaroyam keitaroyam commented Mar 4, 2026

Some of phosphate bond angle sigmas in the p link (the standard link for DNA/RNA) were set to 3.0 degrees (acedrg's default max) due to a lack of reference data. These large sigma values can lead to distorted geometry during refinement.

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@GaribMurshudov GaribMurshudov left a comment

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İ think these are reasonable. But İ would prefer if in future Robbie J would approve

@keitaroyam keitaroyam merged commit 15e7134 into master Mar 24, 2026
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@keitaroyam keitaroyam deleted the p-link-angle-sigma branch March 24, 2026 23:48
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