From bb901c7ae14cff9a00fbd3810dd7afd0ce6dc042 Mon Sep 17 00:00:00 2001 From: Aditya Wibawa Sakti Date: Wed, 17 Aug 2022 16:01:49 +0700 Subject: [PATCH] mod gui --- cmmde_gui/gui.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/cmmde_gui/gui.py b/cmmde_gui/gui.py index 627a171..dc5c0b9 100755 --- a/cmmde_gui/gui.py +++ b/cmmde_gui/gui.py @@ -202,7 +202,8 @@ def cmmde_gui(): # Folder = workdir + "/" + id_input.value + "/" + Molecule_input.value # os.chdir(Folder) Post_folder = Folder + "/" + post_calc[post_btn.value] - os.makedirs(Post_folder) + if not os.path.exists(Post_folder): + os.makedirs(Post_folder) os.chdir(Post_folder) list_commands = ["cmmde.py","-i","{}/cmmd.xyz".format(Folder+"/"+job[job_main.value]),"-s","{}".format(post_software[post_software_main.value]),"-j","{}".format(post_calc[post_btn.value]),"-m","{}".format(post_method[post_method_btn.value])] if dispersion_cor.value != 'None':