diff --git a/save_all.py b/save_all.py index 71bd9d8..a8b93d6 100644 --- a/save_all.py +++ b/save_all.py @@ -1,15 +1,14 @@ -# Save cluspro output in chimera -# This code must be runned within chimera environment with '''chimera --nogui save_all.py''' +# Fit an atomic model in a map and save new coordinates and map to files. import os from chimera import runCommand as run, openModels #Define input and output paths -main_folder = "/home/raquel/Documents/corelabs/venenos/cluspro/" +main_folder = "/home/raquel/Documents/corelabs/venenos/cluspro/Corrida260623" -folder_names = [folder_name for folder_name in os.listdir(main_folder) if folder_name.startswith("Crot_")] +folder_names = [folder_name for folder_name in os.listdir(main_folder) if folder_name.startswith("GLP1R_")] print("The folowing cristals will be processed:",str(folder_names)) for folder_name in folder_names: - input_path = "/home/raquel/Documents/corelabs/venenos/cluspro/"+folder_name+"/" + input_path = main_folder+"/"+folder_name+"/" next_level = [fn for fn in os.listdir(input_path) if os.path.isdir(os.path.join(input_path, fn))] input_path = os.path.join(input_path, next_level[0]) output_path = os.path.join(input_path,"chimera_output/")