diff --git a/docker/README.rst b/docker/README.rst index 4ecbfe5b669cf53b53704f75500538c463bef2b8..3e74a8020493c7e4c0f7ec8bf0d75d4b7e87b884 100644 --- a/docker/README.rst +++ b/docker/README.rst @@ -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 #######