From db499ed62672953a0eb1670ef52d248d3c066706 Mon Sep 17 00:00:00 2001 From: Studer Gabriel <gabriel.studer@unibas.ch> Date: Tue, 18 Feb 2025 10:35:16 +0000 Subject: [PATCH] Edit README.md --- examples/scoring/README.md | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/examples/scoring/README.md b/examples/scoring/README.md index bb277ae73..b4efd1590 100644 --- a/examples/scoring/README.md +++ b/examples/scoring/README.md @@ -34,9 +34,9 @@ default output (out.json): ost compare-structures -m model.pdb -r reference.cif.gz --lddt --local-lddt --qs-score ``` -An example output can be found [here](compare-structures_example_out.json) and -we refer to the action documentation for in-depth description of the provided -data items. +Results should be computed within seconds and example output can be found +[here](compare-structures_example_out.json). We refer to the action +documentation for in-depth description of the provided data items. By default, model-reference chains are aligned using Needleman-Wunsch. Many benchmarking efforts such as CASP and CAMEO assume residue numbers @@ -55,9 +55,9 @@ We can compute LDDT-PLI and BiSyRMSD with: ost compare-ligand-structures -m model.pdb -r reference.cif.gz -ml *.sdf --rmsd --lddt-pli ``` -An example output can be found [here](compare-ligand-structures_example_out.json) -and we refer to the action documentation for in-depth description of the provided -data items. +Results should be computed within seconds and example output can be found +[here](compare-ligand-structures_example_out.json). We refer to the action +documentation for in-depth description of the provided data items. Again, it is advised to use the `-rna` flag if applicable. In this example, reference ligands are directly extracted from the provided mmCIF file based on -- GitLab