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schwede
openstructure
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57d3ca73
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57d3ca73
authored
2 years ago
by
Studer Gabriel
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Clarify stereochemistry checks in CASP15 RNA scoring in Docker README
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@@ -116,6 +116,15 @@ In order to see all available options for this action run:
docker run --rm <IMAGE NAME> compare-structures -h
CASP15 used lDDT for RNA scoring. lDDT runs stereochemistry checks by default,
removing sidechains if they have problematic stereochemistry. This gives lower
lDDT scores. The full residue is removed if the backbone has problematic
stereochemistry resulting in an lDDT score of 0.0 for that particular residue.
Stereochemistry checks for RNA were not yet available in CASP15. To reproduce
these results, use the ``--lddt-no-stereochecks`` flag. This disables
stereochemistry checks for lDDT computation but stereochemical irregularities
are still reported in the output.
Scripts
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