From 9a20f9166de7e1c617ad89dba20b52a6a2ca482c Mon Sep 17 00:00:00 2001 From: Xiaotong Xu <102460988+ntxxt@users.noreply.github.com> Date: Tue, 19 Mar 2024 10:38:38 +0100 Subject: [PATCH] add notes --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index f290986..951efcf 100644 --- a/README.md +++ b/README.md @@ -186,4 +186,4 @@ The command above will generate a folder in the current working directory, conta model.test(hdf5 = "tmpdir/GNN_esm_prediction.hdf5") ``` ### Note about input pdb files -To make sure the mapping between interface residue and ems-2 embeddings are correct, make sure that for all the chains, residue numbering in the PDB file is continuous and start with residue '1'. +To make sure the mapping between interface residue and ems-2 embeddings are correct, make sure that for all the chains, residue numbering in the PDB file is continuous and starts with residue '1'. We provide a script (scripts/pdb_renumber.py) to do the numbering.