# # THIS IS AN EXAMPLE OF A DYNDOM COMMAND FILE # FOR THE ANALYSIS OF THE CONFORMATIONAL CHANGE FOUND # BETWEEN THE TWO CONFORMATIONS OF ADENYLATE KINASE # IN THE PDB FILES: 2AKE(A) AND 2ECK(B) # # GIVE A TITLE (ALSO USED FOR NAMING OUTPUT FILES) # title=4akeA-2eckB.w5 # # WRITE FILENAME FOR 1ST CHAIN # filename1=4ake_work.pdb # # ONE LETTER CODE FOR 1ST CHAIN ID IF IT EXISTS, OTHERWISE LEAVE BLANK # chain1id=A # # WRITE FILENAME FOR 2ND CHAIN, MAY BE SAME AS FIRST # filename2=2eck_work.pdb # # ONE LETTER CODE FOR 2ND CHAIN ID # chain2id=B # # MAXIMUM NUMBER OF CLUSTERS (DEFAULT 20) # clusters=20 # # NUMBER OF ITERATIONS FOR CLUSTERING ROUTINE (DEFAULT 100) # iterations=100 # # WINDOW LENGTH IN NUMBER OF RESIDUES (DEFAULT 5) # window=5 # # MINIMUM DOMAIN SIZE IN NUMBER OF RESIDUES (DEFAULT 10% OF NUMBER OF RESIDUES) # domain=21 # # MINIMUM RATIO OF EXTERNAL TO INTERNAL DISPLACEMENT (DEFAULT 1.0) # ratio=1.0