From ecf0020ee2b1a06d72aa71a4693db101daa8f652 Mon Sep 17 00:00:00 2001 From: Dingel321 Date: Mon, 25 Sep 2023 20:12:30 +0200 Subject: [PATCH] ficed bug in pdb parser --- src/cryo_sbi/utils/pdb_parser.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/cryo_sbi/utils/pdb_parser.py b/src/cryo_sbi/utils/pdb_parser.py index 6bfbc39..0ff2c71 100644 --- a/src/cryo_sbi/utils/pdb_parser.py +++ b/src/cryo_sbi/utils/pdb_parser.py @@ -181,7 +181,7 @@ def pdb_parser(file_formatter, n_pdbs, output_file, mode, start_index=1): atomic_models = torch.zeros((n_pdbs, *atomic_model.shape)) for i in range(0, n_pdbs): - atomic_models[i] = pdb_parser_(file_formatter.format(start_index+1), mode) + atomic_models[i] = pdb_parser_(file_formatter.format(start_index+i), mode) if output_file.endswith("pt"):