#define MAXARGS 100 typedef struct { char *str; sint *flag; int type; char **arg; } cmd_line_data; /* command line switches */ sint setoptions = -1; sint sethelp = -1; sint setinteractive = -1; sint setbatch = -1; sint setgapopen = -1; sint setgapext = -1; sint setpwgapopen = -1; sint setpwgapext = -1; sint setoutorder = -1; sint setbootlabels = -1; sint setpwmatrix = -1; sint setmatrix = -1; sint setpwdnamatrix = -1; sint setdnamatrix = -1; sint setnegative = -1; sint setnoweights = -1; sint setoutput = -1; sint setoutputtree = -1; sint setquicktree = -1; sint settype = -1; sint setcase = -1; sint setseqno = -1; sint settransweight = -1; sint setseed = -1; sint setscore = -1; sint setwindow = -1; sint setktuple = -1; sint setkimura = -1; sint settopdiags = -1; sint setpairgap = -1; sint settossgaps = -1; sint setnopgap = -1; sint setnohgap = -1; sint setnovgap = -1; sint sethgapres = -1; sint setvgapres = -1; sint setuseendgaps = -1; sint setmaxdiv = -1; sint setgapdist = -1; sint setdebug = -1; sint setoutfile = -1; sint setinfile = -1; sint setprofile1 = -1; sint setprofile2 = -1; sint setalign = -1; sint setconvert = -1; sint setnewtree = -1; sint setusetree = -1; sint setnewtree1 = -1; sint setusetree1 = -1; sint setnewtree2 = -1; sint setusetree2 = -1; sint setbootstrap = -1; sint settree = -1; sint setprofile = -1; sint setsequences = -1; sint setsecstr1 = -1; sint setsecstr2 = -1; sint setsecstroutput = -1; sint sethelixgap = -1; sint setstrandgap = -1; sint setloopgap = -1; sint setterminalgap = -1; sint sethelixendin = -1; sint sethelixendout = -1; sint setstrandendin = -1; sint setstrandendout = -1; /* multiple alignment parameters */ float dna_gap_open = 15.0, dna_gap_extend = 6.66; float prot_gap_open = 10.0, prot_gap_extend = 0.2; sint profile_type = PROFILE; sint gap_dist = 0; sint output_order = ALIGNED; sint divergence_cutoff = 30; sint matnum = 3; char mtrxname[FILENAMELEN+1] = "gonnet"; sint dnamatnum = 1; char dnamtrxname[FILENAMELEN+1] = "iub"; char hyd_residues[] = "GPSNDQEKR"; Boolean no_weights = FALSE; Boolean neg_matrix = FALSE; Boolean no_hyd_penalties = FALSE; Boolean no_var_penalties = TRUE; Boolean no_pref_penalties = FALSE; Boolean use_endgaps = FALSE; Boolean endgappenalties = FALSE; Boolean reset_alignments_new = FALSE; /* DES */ Boolean reset_alignments_all = FALSE; /* DES */ sint output_struct_penalties = 0; sint struct_penalties1 = NONE; sint struct_penalties2 = NONE; Boolean use_ss1 = TRUE; Boolean use_ss2 = TRUE; sint helix_penalty = 4; sint strand_penalty = 4; sint loop_penalty = 1; sint helix_end_minus = 3; sint helix_end_plus = 0; sint strand_end_minus = 1; sint strand_end_plus = 1; sint helix_end_penalty = 2; sint strand_end_penalty = 2; Boolean use_ambiguities = FALSE; /* pairwise alignment parameters */ float dna_pw_go_penalty = 15.0, dna_pw_ge_penalty = 6.66; float prot_pw_go_penalty = 10.0, prot_pw_ge_penalty = 0.1; sint pw_matnum = 3; char pw_mtrxname[FILENAMELEN+1] = "gonnet"; sint pw_dnamatnum = 1; char pw_dnamtrxname[FILENAMELEN+1] = "iub"; char usermtrxname[FILENAMELEN+1], pw_usermtrxname[FILENAMELEN+1]; char dnausermtrxname[FILENAMELEN+1], pw_dnausermtrxname[FILENAMELEN+1]; Boolean quick_pairalign = FALSE; float transition_weight = 0.5; sint new_seq; /* quick pairwise alignment parameters */ sint dna_ktup = 2; /* default parameters for DNA */ sint dna_wind_gap = 5; sint dna_signif = 4; sint dna_window = 4; sint prot_ktup = 1; /* default parameters for proteins */ sint prot_wind_gap = 3; sint prot_signif = 5; sint prot_window = 5; Boolean percent=TRUE; Boolean tossgaps = FALSE; Boolean kimura = FALSE; sint boot_ntrials = 1000; unsigned sint boot_ran_seed = 111; sint debug = 0; Boolean explicit_dnaflag = FALSE; /* Explicit setting of sequence type on comm.line*/ Boolean lowercase = TRUE; /* Flag for GDE output - set on comm. line*/ Boolean cl_seq_numbers = FALSE; Boolean output_clustal = TRUE; Boolean output_gcg = FALSE; Boolean output_phylip = FALSE; Boolean output_nbrf = FALSE; Boolean output_gde = FALSE; Boolean showaln = TRUE; Boolean save_parameters = FALSE; /* DES */ Boolean output_tree_clustal = FALSE; Boolean output_tree_phylip = TRUE; Boolean output_tree_distances = FALSE; sint bootstrap_format = BS_BRANCH_LABELS; /*These are all the positively scoring groups that occur in the Gonnet Pam250 matrix. There are strong and weak groups, defined as strong score >0.5 and weak score =<0.5. Strong matching columns to be assigned ':' and weak matches assigned '.' in the clustal output format. */ char *res_cat1[] = { "STA", "NEQK", "NHQK", "NDEQ", "QHRK", "MILV", "MILF", "HY", "FYW", NULL }; char *res_cat2[] = { "CSA", "ATV", "SAG", "STNK", "STPA", "SGND", "SNDEQK", "NDEQHK", "NEQHRK", "FVLIM", "HFY", NULL }; static char *type_arg[] = { "protein", "dna", ""}; static char *bootlabels_arg[] = { "node", "branch", ""}; static char *outorder_arg[] = { "input", "aligned", ""}; static char *case_arg[] = { "lower", "upper", ""}; static char *seqno_arg[] = { "off", "on", ""}; static char *score_arg[] = { "percent", "absolute", ""}; static char *output_arg[] = { "gcg", "gde", "pir", "phylip", ""}; static char *outputtree_arg[] = { "nj", "phylip", "dist", ""}; static char *outputsecstr_arg[] = { "structure", "mask", "both", "none", ""}; /* command line initialisation type = 0 no argument type = 1 integer argument type = 2 float argument type = 3 string argument type = 4 filename type = 5 opts */ #define NOARG 0 #define INTARG 1 #define FLTARG 2 #define STRARG 3 #define FILARG 4 #define OPTARG 5 /* command line switches for DATA **************************/ cmd_line_data cmd_line_file[] = { "infile", &setinfile, FILARG, NULL, "profile1", &setprofile1, FILARG, NULL, "profile2", &setprofile2, FILARG, NULL, "", NULL, -1}; /* command line switches for VERBS **************************/ cmd_line_data cmd_line_verb[] = { "help", &sethelp, NOARG, NULL, "check", &sethelp, NOARG, NULL, "options", &setoptions, NOARG, NULL, "align", &setalign, NOARG, NULL, "newtree", &setnewtree, FILARG, NULL, "usetree", &setusetree, FILARG, NULL, "newtree1", &setnewtree1, FILARG, NULL, "usetree1", &setusetree1, FILARG, NULL, "newtree2", &setnewtree2, FILARG, NULL, "usetree2", &setusetree2, FILARG, NULL, "bootstrap", &setbootstrap, NOARG, NULL, "tree", &settree, NOARG, NULL, "quicktree", &setquicktree, NOARG, NULL, "convert", &setconvert, NOARG, NULL, "interactive", &setinteractive, NOARG, NULL, "batch", &setbatch, NOARG, NULL, "", NULL, -1}; /* command line switches for PARAMETERS **************************/ cmd_line_data cmd_line_para[] = { "type", &settype, OPTARG, type_arg, "profile", &setprofile, NOARG, NULL, "sequences", &setsequences, NOARG, NULL, "matrix", &setmatrix, FILARG, NULL, "dnamatrix", &setdnamatrix, FILARG, NULL, "negative", &setnegative, NOARG, NULL, "noweights", &setnoweights, NOARG, NULL, "gapopen", &setgapopen, FLTARG, NULL, "gapext", &setgapext, FLTARG, NULL, "endgaps", &setuseendgaps, NOARG, NULL, "nopgap", &setnopgap, NOARG, NULL, "nohgap", &setnohgap, NOARG, NULL, "novgap", &setnovgap, NOARG, NULL, "hgapresidues", &sethgapres, STRARG, NULL, "maxdiv", &setmaxdiv, INTARG, NULL, "gapdist", &setgapdist, INTARG, NULL, "pwmatrix", &setpwmatrix, FILARG, NULL, "pwdnamatrix", &setpwdnamatrix, FILARG, NULL, "pwgapopen", &setpwgapopen, FLTARG, NULL, "pwgapext", &setpwgapext, FLTARG, NULL, "ktuple", &setktuple, INTARG, NULL, "window", &setwindow, INTARG, NULL, "pairgap", &setpairgap, INTARG, NULL, "topdiags", &settopdiags, INTARG, NULL, "score", &setscore, OPTARG, score_arg, "transweight", &settransweight, FLTARG, NULL, "seed", &setseed, INTARG, NULL, "kimura", &setkimura, NOARG, NULL, "tossgaps", &settossgaps, NOARG, NULL, "bootlabels", &setbootlabels, OPTARG, bootlabels_arg, "debug", &setdebug, INTARG, NULL, "output", &setoutput, OPTARG, output_arg, "outputtree", &setoutputtree, OPTARG, outputtree_arg, "outfile", &setoutfile, FILARG, NULL, "outorder", &setoutorder, OPTARG, outorder_arg, "case", &setcase, OPTARG, case_arg, "seqnos", &setseqno, OPTARG, seqno_arg, "nosecstr1", &setsecstr1, NOARG, NULL, "nosecstr2", &setsecstr2, NOARG, NULL, "secstrout", &setsecstroutput, OPTARG, outputsecstr_arg, "helixgap", &sethelixgap, INTARG, NULL, "strandgap", &setstrandgap, INTARG, NULL, "loopgap", &setloopgap, INTARG, NULL, "terminalgap", &setterminalgap, INTARG, NULL, "helixendin", &sethelixendin, INTARG, NULL, "helixendout", &sethelixendout, INTARG, NULL, "strandendin", &setstrandendin, INTARG, NULL, "strandendout",&setstrandendout, INTARG, NULL, "", NULL, -1};