From 00a248d11c7196b6aa717c23087b04deb9be9a8a Mon Sep 17 00:00:00 2001 From: rodvrees Date: Mon, 5 May 2025 10:09:03 +0200 Subject: [PATCH] Fix running with no calibration --- im2deep/__init__.py | 2 +- im2deep/__main__.py | 1 + 2 files changed, 2 insertions(+), 1 deletion(-) diff --git a/im2deep/__init__.py b/im2deep/__init__.py index 493c895..ec65ce9 100644 --- a/im2deep/__init__.py +++ b/im2deep/__init__.py @@ -1,3 +1,3 @@ """IM2Deep: Deep learning framework for peptide collisional cross section prediction.""" -__version__ = "1.0.2" +__version__ = "1.0.3" diff --git a/im2deep/__main__.py b/im2deep/__main__.py index 75cb40b..2d5ec10 100644 --- a/im2deep/__main__.py +++ b/im2deep/__main__.py @@ -217,6 +217,7 @@ def main( "No calibration file found. Proceeding without calibration. Calibration is HIGHLY recommended for accurate CCS prediction." ) psm_list_cal_df = None + df_cal = None if not output_file: output_file = Path(psm_file).parent / (Path(psm_file).stem + "_IM2Deep-predictions.csv")