# Purpose : calculate several models from the initial structure and restraints # # Input : MODEL, CSRFILE, SCHFILE, ROOT_NAME, DEVIATION, MD_LEVEL, # RAND_METHOD # # Output : schedule in file SCHFILE, final models in files ROOT_NAME.B*, # debugging output in files ROOT_NAME.D* # SUBROUTINE ROUTINE = 'multiple_models' DO ID2 = STARTING_MODEL, ENDING_MODEL, 1 SET FINAL_MODEL = 'default' CALL ROUTINE = 'single_model' END_DO IF ARGUMENTS = DO_LOOPS 1, OPERATION = 'EQ' # Do thorough loop modeling if so selected, for each *.B9999???? model: DO ID2 = STARTING_MODEL, ENDING_MODEL, 1 SET ROOT_NAME = SEQUENCE, FILE_ID = '.B', FILE_EXT = PDB_EXT, ID1 = 9999 CALL ROUTINE = 'loop', LOOP_MODEL = '${DEFAULT}' END_DO END_IF RETURN END_SUBROUTINE