# Purpose : calculate model(s) from the sequence and related structure(s) # # Input 1 : SEGFILE, ALNFILE, KNOWNS, SEQUENCE, DATABASE_DIRECTORY, # DEVIATION, TOPLIB, PARLIB, GENERATE_METHOD, RAND_METHOD, # MD_LEVEL # # Output : alignment in file ALNFILE, stereochemical and homology restraints # in file CSRFILE, # schedule in file SCHFILE, final model in file FINAL_MODEL, # debugging output in .D # MODEL, CSRFILE, SCHFILE, FINAL_MODEL, REFINED_MODEL # SUBROUTINE ROUTINE = 'full_homol' # get some filenames from SEQUENCE: CALL ROUTINE = 'getnames' STRING_OPERATE STRING_ARGUMENTS = SEGFILE '.ali', RESULT = ALNFILE # derive the alignment first: CALL ROUTINE = 'align_strs_seq' # getting model(s): CALL ROUTINE = 'model' RETURN END_SUBROUTINE