From 40d491c386e29c3b0342bd00562f2ee69b7b85a8 Mon Sep 17 00:00:00 2001 From: PKUfjh <2001110077@pku.edu.cn> Date: Tue, 29 Aug 2023 13:45:13 +0000 Subject: [PATCH] fix customized CV files --- rid/op/run_label.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/rid/op/run_label.py b/rid/op/run_label.py index ca5627a..ce2d0a4 100644 --- a/rid/op/run_label.py +++ b/rid/op/run_label.py @@ -146,7 +146,7 @@ def execute( os.symlink(op_in["index_file"], op_in["index_file"].name) if op_in["cv_file"] is not None: for file in op_in["cv_file"]: - if file.name != "colvar": + if os.path.basename(file).endswith("pdb"): if not os.path.islink(file.name): os.symlink(file, file.name) if op_in["inputfile"] is not None: