From dea9c140740ff8aa7b1b8805bdd507d475df5a70 Mon Sep 17 00:00:00 2001 From: Umberto Lupo Date: Wed, 27 Nov 2024 12:36:56 +0100 Subject: [PATCH] Fix comment and add warning in `run_on_all_native_interfaces` README section --- README.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/README.md b/README.md index 3ebdc2d..c7f9366 100644 --- a/README.md +++ b/README.md @@ -212,7 +212,7 @@ optional arguments: **Importing DockQ as python module** -Once DockQ is installed with pip, it can also be used as a module in your python code: +Once DockQ is installed with pip, it can also be used as a module in your python code (note that in this case the chain mapping has to be provided in the form native:model, not model:native): ```{python} from DockQ.DockQ import load_PDB, run_on_all_native_interfaces @@ -220,7 +220,7 @@ from DockQ.DockQ import load_PDB, run_on_all_native_interfaces model = load_PDB("examples/1A2K_r_l_b.model.pdb") native = load_PDB("examples/1A2K_r_l_b.pdb") -# model:native chain map dictionary for two interfaces +# native:model chain map dictionary for two interfaces chain_map = {"A":"A", "B":"B"} # returns a dictionary containing the results and the total DockQ score run_on_all_native_interfaces(model, native, chain_map=chain_map)