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annotate mafft/core/dndblast.c @ 18:e4d75f9efb90 draft
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author | nick |
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date | Thu, 02 Feb 2017 18:44:31 -0500 |
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18
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1 #include "mltaln.h" |
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2 #include <sys/types.h> |
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3 #include <unistd.h> |
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4 #define DEBUG 0 |
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5 #define TEST 0 |
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6 |
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7 |
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8 int howmanyx( char *s ) |
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9 { |
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10 int val = 0; |
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11 if( scoremtx == -1 ) |
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12 { |
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13 do |
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14 { |
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15 if( !strchr( "atgcuATGCU", *s ) ) val++; |
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16 } while( *++s ); |
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17 } |
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18 else |
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19 { |
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20 do |
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21 { |
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22 if( !strchr( "ARNDCQEGHILKMFPSTWYV", *s ) ) val++; |
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23 } while( *++s ); |
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24 } |
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25 return( val ); |
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26 } |
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27 |
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28 void arguments( int argc, char *argv[] ) |
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29 { |
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30 int c; |
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31 |
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32 inputfile = NULL; |
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33 disopt = 0; |
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34 divpairscore = 0; |
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35 |
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36 while( --argc > 0 && (*++argv)[0] == '-' ) |
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37 { |
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38 while ( (c = *++argv[0]) ) |
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39 { |
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40 switch( c ) |
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41 { |
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42 case 'i': |
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43 inputfile = *++argv; |
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44 fprintf( stderr, "inputfile = %s\n", inputfile ); |
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45 --argc; |
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46 goto nextoption; |
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47 case 'I': |
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48 disopt = 1; |
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49 break; |
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50 default: |
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51 fprintf( stderr, "illegal option %c\n", c ); |
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52 argc = 0; |
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53 break; |
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54 } |
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55 } |
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56 nextoption: |
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57 ; |
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58 |
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59 } |
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60 if( argc != 0 ) |
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61 { |
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62 fprintf( stderr, "options: -i\n" ); |
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63 exit( 1 ); |
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64 } |
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65 } |
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66 |
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67 int main( int argc, char *argv[] ) |
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68 { |
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69 int ktuple; |
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70 int i, j; |
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71 FILE *infp; |
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72 FILE *hat2p; |
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73 FILE *hat3p; |
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74 char **seq = NULL; // by D.Mathog |
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75 char **seq1; |
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76 static char **name; |
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77 static char **name1; |
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78 static int nlen1[M]; |
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79 double **mtx; |
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80 double **mtx2; |
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81 static int nlen[M]; |
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82 char b[B]; |
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83 double max; |
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84 char com[1000]; |
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85 int opt[M]; |
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86 int res; |
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87 char *home; |
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88 char queryfile[B]; |
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89 char datafile[B]; |
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90 char fastafile[B]; |
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91 char hat2file[B]; |
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92 int pid = (int)getpid(); |
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93 LocalHom **localhomtable, *tmpptr; |
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94 #if 1 |
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95 home = getenv( "HOME" ); |
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96 #else /* $HOME wo tsukau to fasta ni watasu hikisuu ga afureru */ |
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97 home = NULL; |
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98 #endif |
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99 |
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100 #if DEBUG |
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101 if( home ) fprintf( stderr, "home = %s\n", home ); |
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102 #endif |
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103 if( !home ) home = ""; |
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104 sprintf( queryfile, "%s/tmp/query-%d", home, pid ); |
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105 sprintf( datafile, "%s/tmp/data-%d", home, pid ); |
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106 sprintf( fastafile, "%s/tmp/fasta-%d", home, pid ); |
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107 sprintf( hat2file, "hat2-%d", pid ); |
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108 |
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109 |
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110 arguments( argc, argv ); |
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111 |
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112 if( inputfile ) |
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113 { |
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114 infp = fopen( inputfile, "r" ); |
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115 if( !infp ) |
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116 { |
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117 fprintf( stderr, "Cannot open %s\n", inputfile ); |
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118 exit( 1 ); |
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119 } |
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120 } |
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121 else |
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122 infp = stdin; |
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123 #if 0 |
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124 PreRead( infp, &njob, &nlenmax ); |
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125 #else |
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126 dorp = NOTSPECIFIED; |
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127 getnumlen( infp ); |
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128 #endif |
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129 |
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130 if( dorp == 'd' ) |
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131 { |
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132 scoremtx = -1; |
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133 pamN = NOTSPECIFIED; |
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134 } |
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135 else |
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136 { |
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137 nblosum = 62; |
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138 scoremtx = 1; |
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139 } |
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140 constants( njob, seq ); |
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141 |
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142 rewind( infp ); |
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143 |
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144 name = AllocateCharMtx( njob, B+1 ); |
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145 name1 = AllocateCharMtx( njob, B+1 ); |
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146 seq = AllocateCharMtx( njob, nlenmax+1 ); |
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147 seq1 = AllocateCharMtx( 2, nlenmax+1 ); |
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148 mtx = AllocateDoubleMtx( njob, njob ); |
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149 mtx2 = AllocateDoubleMtx( njob, njob ); |
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150 localhomtable = (LocalHom **)calloc( njob, sizeof( LocalHom *) ); |
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151 for( i=0; i<njob; i++) |
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152 { |
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153 localhomtable[i] = (LocalHom *)calloc( njob, sizeof( LocalHom ) ); |
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154 for( j=0; j<njob; j++) |
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155 { |
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156 localhomtable[i][j].start1 = -1; |
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157 localhomtable[i][j].end1 = -1; |
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158 localhomtable[i][j].start2 = -1; |
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159 localhomtable[i][j].end2 = -1; |
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160 localhomtable[i][j].opt = -1.0; |
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161 localhomtable[i][j].next = NULL; |
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162 |
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163 } |
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164 } |
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165 |
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166 #if 0 |
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167 FRead( infp, name, nlen, seq ); |
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168 #else |
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169 readData_pointer( infp, name, nlen, seq ); |
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170 #endif |
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171 fclose( infp ); |
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172 |
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173 if( scoremtx == -1 ) ktuple = 6; |
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174 else ktuple = 1; |
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175 |
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176 for( i=0; i<njob; i++ ) |
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177 { |
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178 gappick0( seq1[0], seq[i] ); |
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179 strcpy( seq[i], seq1[0] ); |
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180 } |
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181 for( j=0; j<njob; j++ ) |
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182 { |
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183 sprintf( name1[j], "+==========+%d ", j ); |
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184 nlen1[j] = nlen[j]; |
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185 } |
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186 |
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187 for( i=0; i<njob; i++ ) |
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188 { |
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189 // fprintf( stderr, "### i = %d\n", i ); |
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190 |
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191 if( i % 10 == 0 ) |
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192 { |
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193 fprintf( stderr, "formatting .. " ); |
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194 hat2p = fopen( datafile, "w" ); |
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195 if( !hat2p ) ErrorExit( "Cannot open datafile." ); |
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196 WriteForFasta( hat2p, njob-i, name1+i, nlen1+i, seq+i ); |
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197 fclose( hat2p ); |
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198 |
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199 if( scoremtx == -1 ) |
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200 sprintf( com, "formatdb -p f -i %s -o F", datafile ); |
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201 else |
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202 sprintf( com, "formatdb -i %s -o F", datafile ); |
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203 system( com ); |
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204 fprintf( stderr, "done.\n" ); |
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205 } |
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206 |
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207 hat2p = fopen( queryfile, "w" ); |
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208 if( !hat2p ) ErrorExit( "Cannot open queryfile." ); |
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209 WriteForFasta( hat2p, 1, name1+i, nlen+i, seq+i ); |
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210 fclose( hat2p ); |
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211 |
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212 |
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213 if( scoremtx == -1 ) |
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214 sprintf( com, "blastall -e 1e10 -p blastn -m 7 -i %s -d %s > %s", queryfile, datafile, fastafile ); |
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215 else |
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216 sprintf( com, "blastall -G 10 -E 1 -e 1e10 -p blastp -m 7 -i %s -d %s > %s", queryfile, datafile, fastafile ); |
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217 res = system( com ); |
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218 if( res ) ErrorExit( "error in fasta" ); |
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219 |
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220 |
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221 hat2p = fopen( fastafile, "r" ); |
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222 if( hat2p == NULL ) |
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223 ErrorExit( "file 'fasta.$$' does not exist\n" ); |
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224 res = ReadBlastm7( hat2p, mtx[i], i, name1, localhomtable[i] ); |
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225 fclose( hat2p ); |
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226 |
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227 #if 0 |
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228 for( j=0; j<njob; j++ ) |
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229 { |
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230 for( tmpptr=localhomtable[i]+j; tmpptr; tmpptr=tmpptr->next ) |
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231 { |
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232 if( tmpptr->opt == -1.0 ) continue; |
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233 // fprintf( stderr, "%d %d %d %6.3f %d %d %d %d %p\n", i, j, tmpptr->overlapaa, tmpptr->opt, tmpptr->start1, tmpptr->end1, tmpptr->start2, tmpptr->end2, tmpptr->next ); |
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234 } |
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235 } |
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236 #endif |
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237 |
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238 if( res < njob-i+i%10 ) |
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239 { |
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240 fprintf( stderr, "WARNING: count (blast) = %d < %d\n", res, njob-i+i%10 ); |
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241 } |
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242 |
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243 |
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244 #if 0 |
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245 { |
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246 int ii, jj; |
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247 if( i < njob-1 ) for( jj=i; jj<i+5; jj++ ) |
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248 fprintf( stdout, "mtx[%d][%d] = %f\n", i+1, jj+1, mtx[i][jj] ); |
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249 } |
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250 #endif |
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251 fprintf( stderr, "query : %4d / %d\n", i+1, njob ); |
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252 } |
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253 |
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254 #if 1 |
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255 fprintf( stderr, "##### writing hat3\n" ); |
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256 hat3p = fopen( "hat3", "w" ); |
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257 if( !hat3p ) ErrorExit( "Cannot open hat3." ); |
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258 for( i=0; i<njob; i++ ) for( j=0; j<njob; j++ ) |
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259 { |
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260 // fprintf( stderr, "mtx[%d][%d] = %f, mtx[%d][%d] = %f\n", i, j, mtx[i][j], j, i, mtx[j][i] ); |
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261 if( i == j ) continue; |
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262 if( mtx[i][j] == mtx[j][i] && i > j ) continue; |
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263 if( mtx[j][i] > mtx[i][j] ) continue; |
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264 for( tmpptr=localhomtable[i]+j; tmpptr; tmpptr=tmpptr->next ) |
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265 { |
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266 if( tmpptr->opt == -1.0 ) continue; |
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267 fprintf( hat3p, "%d %d %d %6.3f %d %d %d %d %p\n", i, j, tmpptr->overlapaa, tmpptr->opt, tmpptr->start1, tmpptr->end1, tmpptr->start2, tmpptr->end2, (void *)tmpptr->next ); |
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268 } |
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269 } |
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270 fclose( hat3p ); |
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271 #endif |
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272 |
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273 for( i=0; i<njob; i++ ) |
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274 { |
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275 // fprintf( stderr, "### i = %d\n", i ); |
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276 hat2p = fopen( datafile, "w" ); |
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277 if( !hat2p ) ErrorExit( "Cannot open datafile." ); |
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278 WriteForFasta( hat2p, njob-i, name1+i, nlen1+i, seq+i ); |
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279 fclose( hat2p ); |
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280 |
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281 // seq1[0] = seq[i]; |
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282 // nlen1[0] = nlen[i]; |
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283 |
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284 hat2p = fopen( queryfile, "w" ); |
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285 if( !hat2p ) ErrorExit( "Cannot open queryfile." ); |
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286 WriteForFasta( hat2p, 1, name1+i, nlen+i, seq+i ); |
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287 fclose( hat2p ); |
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288 |
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289 |
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290 if( scoremtx == -1 ) |
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291 sprintf( com, "fasta34 -z3 -m10 -n -Q -b%d -E%d -d%d %s %s %d > %s", M, M, 0, queryfile, datafile, ktuple, fastafile ); |
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292 else |
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293 sprintf( com, "fasta34 -z3 -m10 -Q -b%d -E%d -d%d %s %s %d > %s", M, M, 0, queryfile, datafile, ktuple, fastafile ); |
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294 res = system( com ); |
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295 if( res ) ErrorExit( "error in fasta" ); |
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296 |
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297 |
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298 hat2p = fopen( fastafile, "r" ); |
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299 if( hat2p == NULL ) |
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300 ErrorExit( "file 'fasta.$$' does not exist\n" ); |
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301 res = ReadFasta34noalign( hat2p, mtx[i], i, name1, localhomtable[i] ); |
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302 fclose( hat2p ); |
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303 if( res < njob - i ) |
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304 { |
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305 fprintf( stderr, "count (fasta34 -z 3) = %d\n", res ); |
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306 exit( 1 ); |
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307 } |
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308 |
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309 |
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310 if( i == 0 ) |
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311 for( j=0; j<njob; j++ ) opt[j] = (int)mtx[0][j]; |
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312 |
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313 |
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314 #if 0 |
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315 { |
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316 int ii, jj; |
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317 if( i < njob-1 ) for( jj=i; jj<i+5; jj++ ) |
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318 fprintf( stdout, "mtx[%d][%d] = %f\n", i+1, jj+1, mtx[i][jj] ); |
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319 } |
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320 #endif |
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321 fprintf( stderr, "query : %4d\r", i+1 ); |
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322 } |
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323 |
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324 |
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325 |
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326 |
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327 for( i=0; i<njob; i++ ) |
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328 { |
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329 max = mtx[i][i]; |
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330 if( max == 0.0 ) |
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331 { |
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332 for( j=0; j<njob; j++ ) |
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333 mtx2[i][j] = 2.0; |
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334 } |
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335 else |
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336 { |
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337 for( j=0; j<njob; j++ ) |
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338 { |
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339 mtx2[i][j] = ( max - mtx[MIN(i,j)][MAX(i,j)] ) / max * 2.0; |
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340 // fprintf( stdout, "max = %f, mtx[%d][%d] = %f -> %f\n", max, i+1, j+1, mtx[i][j], mtx2[i][j] ); |
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341 } |
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342 } |
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343 } |
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344 for( i=0; i<njob-1; i++ ) for( j=i+1; j<njob; j++ ) |
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345 { |
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346 // fprintf( stdout, "mtx2[%d][%d] = %f, %f\n", i+1, j+1, mtx2[i][j], mtx2[j][i] ); |
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347 mtx2[i][j] = MIN( mtx2[i][j], mtx2[j][i] ); |
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348 } |
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349 |
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350 #if 0 |
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351 { |
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352 int ii, jj; |
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353 if( i < njob-1 ) for( jj=i+1; jj<njob; jj++ ) |
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354 fprintf( stderr, "mtx2[][] = %f\n", mtx2[i][jj] ); |
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355 } |
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356 #endif |
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357 |
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358 for( i=0; i<njob; i++ ) name[i][0] = '='; |
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359 |
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360 if( disopt ) |
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361 { |
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362 strcpy( b, name[0] ); |
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363 sprintf( name[0], "=query====lgth=%04d-%04d %.*s", nlen[0], howmanyx( seq[0] ), B-30, b ); |
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364 #if 0 |
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365 strins( b, name[0] ); |
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366 #endif |
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367 for( i=1; i<njob; i++ ) |
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368 { |
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369 strcpy( b, name[i] ); |
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370 sprintf( name[i], "=opt=%04d=lgth=%04d-%04d %.*s", opt[i], nlen[i], howmanyx( seq[i] ), B-30, b ); |
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371 #if 0 |
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372 strins( b, name[i] ); |
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373 #endif |
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374 } |
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375 } |
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376 |
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377 hat2p = fopen( hat2file, "w" ); |
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378 if( !hat2p ) ErrorExit( "Cannot open hat2." ); |
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379 WriteHat2_pointer( hat2p, njob, name, mtx2 ); |
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380 fclose( hat2p ); |
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381 |
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382 |
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383 sprintf( com, "/bin/rm %s %s %s", queryfile, datafile, fastafile ); |
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384 system( com ); |
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385 |
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386 #if 0 |
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387 sprintf( com, ALNDIR "/supgsdl < %s", hat2file ); |
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388 res = system( com ); |
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389 if( res ) ErrorExit( "error in spgsdl" ); |
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390 #endif |
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391 |
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392 sprintf( com, "mv %s hat2", hat2file ); |
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393 res = system( com ); |
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394 if( res ) ErrorExit( "error in mv" ); |
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395 |
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396 SHOWVERSION; |
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397 exit( 0 ); |
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398 } |