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Update save_all.py #2

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9 changes: 4 additions & 5 deletions save_all.py
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Original file line number Diff line number Diff line change
@@ -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/")
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