Keep original numbering scheme
@@ -982,6 +982,7 @@ def apply_modeller(input_file_path, output_file_path, directives):
env.io.atom_files_directory = [atom_files_directory]
alignment = modeller.alignment(env)
model = modeller.model(env, file=atom_file_name)
+ model_original_numbering = modeller.model(env, file=atom_file_name)
alignment.append_model(model, atom_files=atom_file_name, align_codes=atom_file_name)
@@ -1020,6 +1021,7 @@ def apply_modeller(input_file_path, output_file_path, directives):
raise ValueError("The 'modeller:' block contained some nodes that it didn't know how to process: {}".format(directives))
# Write the final model
+ model.res_num_from(model_original_numbering, alignment)
model.write(file=output_file_path)
def read_csv_lines(file_path, lines):
