! Module file: pdbsgname ! ! CNS module ! ********** ! ! Authors: Jian-Sheng Jiang and Axel T. Brunger ! ! copyright Yale University ! ! Function: ! Get the space group name in PDB's convention for a given number ! Return the name in "&sgname" ! ! Requirements: !{ The name of space group in the PDB's convention } !{ (1) a string limits to 11 columns } !{ (2) symmetry directions separate by a white-space } !{ (3) the screw rotation axes use a number with 2 digits } !{ (4) inversion rotation axes with the minus sign "-" } !{ (5) perpendicular indicator "/" is allowed } !{ Examples: "P 21/C", "P 42/N B C","R -3","F 4 -3 M" } ! module { pdbgetsgname } ( &sg=0; { the number of the space group for input } &sgname=" "; { the name of the space group for return } ) set message ? end evaluate ($message_old=$result) set echo ? end evaluate ($echo_old=$result) if ( $log_level = verbose ) then set echo=on message=normal end else set echo=off message=off end end if checkversion 1.3 evaluate ($SgMacro_number=&sg) evaluate ($SgMacro_name=" ") if ( $SgMacro_number = 1 ) then evaluate ( $SgMacro_name = "P 1" ) elseif ( $SgMacro_number = 2 ) then evaluate ( $SgMacro_name = "P -1" ) elseif ( $SgMacro_number = 3 ) then evaluate ( $SgMacro_name = "P 2" ) elseif ( $SgMacro_number = 4 ) then evaluate ( $SgMacro_name = "P 21" ) elseif ( $SgMacro_number = 5 ) then evaluate ( $SgMacro_name = "C 2" ) elseif ( $SgMacro_number = 6 ) then evaluate ( $SgMacro_name = "P M" ) elseif ( $SgMacro_number = 7 ) then evaluate ( $SgMacro_name = "P C" ) elseif ( $SgMacro_number = 8 ) then evaluate ( $SgMacro_name = "C M" ) elseif ( $SgMacro_number = 9 ) then evaluate ( $SgMacro_name = "C C" ) elseif ( $SgMacro_number = 10 ) then evaluate ( $SgMacro_name = "P 2/M" ) elseif ( $SgMacro_number = 11 ) then evaluate ( $SgMacro_name = "P 21/M" ) elseif ( $SgMacro_number = 12 ) then evaluate ( $SgMacro_name = "C 2/M" ) elseif ( $SgMacro_number = 13 ) then evaluate ( $SgMacro_name = "P 2/C" ) elseif ( $SgMacro_number = 14 ) then evaluate ( $SgMacro_name = "P 21/C" ) elseif ( $SgMacro_number = 15 ) then evaluate ( $SgMacro_name = "C 2/C" ) elseif ( $SgMacro_number = 16 ) then evaluate ( $SgMacro_name = "P 2 2 2" ) elseif ( $SgMacro_number = 17 ) then evaluate ( $SgMacro_name = "P 2 2 21" ) elseif ( $SgMacro_number = 1017 ) then evaluate ( $SgMacro_name = "P 21 2 2" ) elseif ( $SgMacro_number = 18 ) then evaluate ( $SgMacro_name = "P 21 21 2" ) elseif ( $SgMacro_number = 19 ) then evaluate ( $SgMacro_name = "P 21 21 21" ) elseif ( $SgMacro_number = 20 ) then evaluate ( $SgMacro_name = "C 2 2 21" ) elseif ( $SgMacro_number = 21 ) then evaluate ( $SgMacro_name = "C 2 2 2" ) elseif ( $SgMacro_number = 22 ) then evaluate ( $SgMacro_name = "F 2 2 2" ) elseif ( $SgMacro_number = 23 ) then evaluate ( $SgMacro_name = "I 2 2 2" ) elseif ( $SgMacro_number = 24 ) then evaluate ( $SgMacro_name = "I 21 21 21" ) elseif ( $SgMacro_number = 25 ) then evaluate ( $SgMacro_name = "P M M 2" ) elseif ( $SgMacro_number = 26 ) then evaluate ( $SgMacro_name = "P M C 21" ) elseif ( $SgMacro_number = 27 ) then evaluate ( $SgMacro_name = "P C C 2" ) elseif ( $SgMacro_number = 28 ) then evaluate ( $SgMacro_name = "P M A 2" ) elseif ( $SgMacro_number = 29 ) then evaluate ( $SgMacro_name = "P C A 21" ) elseif ( $SgMacro_number = 30 ) then evaluate ( $SgMacro_name = "P N C 2" ) elseif ( $SgMacro_number = 31 ) then evaluate ( $SgMacro_name = "P M N 21" ) elseif ( $SgMacro_number = 32 ) then evaluate ( $SgMacro_name = "P B A 2" ) elseif ( $SgMacro_number = 33 ) then evaluate ( $SgMacro_name = "P N A 21" ) elseif ( $SgMacro_number = 34 ) then evaluate ( $SgMacro_name = "P N N 2" ) elseif ( $SgMacro_number = 35 ) then evaluate ( $SgMacro_name = "C M M 2" ) elseif ( $SgMacro_number = 36 ) then evaluate ( $SgMacro_name = "C M C 21" ) elseif ( $SgMacro_number = 37 ) then evaluate ( $SgMacro_name = "C C C 2" ) elseif ( $SgMacro_number = 38 ) then evaluate ( $SgMacro_name = "A M M 2" ) elseif ( $SgMacro_number = 39 ) then evaluate ( $SgMacro_name = "A B M 2" ) elseif ( $SgMacro_number = 40 ) then evaluate ( $SgMacro_name = "A M A 2" ) elseif ( $SgMacro_number = 41 ) then evaluate ( $SgMacro_name = "A B A 2" ) elseif ( $SgMacro_number = 42 ) then evaluate ( $SgMacro_name = "F M M 2" ) elseif ( $SgMacro_number = 43 ) then evaluate ( $SgMacro_name = "F D D 2" ) elseif ( $SgMacro_number = 44 ) then evaluate ( $SgMacro_name = "I M M 2" ) elseif ( $SgMacro_number = 45 ) then evaluate ( $SgMacro_name = "I B A 2" ) elseif ( $SgMacro_number = 46 ) then evaluate ( $SgMacro_name = "I M A 2" ) elseif ( $SgMacro_number = 47 ) then evaluate ( $SgMacro_name = "P M M M" ) elseif ( $SgMacro_number = 48 ) then evaluate ( $SgMacro_name = "P N N N" ) elseif ( $SgMacro_number = 49 ) then evaluate ( $SgMacro_name = "P C C M" ) elseif ( $SgMacro_number = 50 ) then evaluate ( $SgMacro_name = "P B A N" ) elseif ( $SgMacro_number = 51 ) then evaluate ( $SgMacro_name = "P M M A" ) elseif ( $SgMacro_number = 52 ) then evaluate ( $SgMacro_name = "P N N A" ) elseif ( $SgMacro_number = 53 ) then evaluate ( $SgMacro_name = "P M N A" ) elseif ( $SgMacro_number = 54 ) then evaluate ( $SgMacro_name = "P C C A" ) elseif ( $SgMacro_number = 55 ) then evaluate ( $SgMacro_name = "P B A M" ) elseif ( $SgMacro_number = 56 ) then evaluate ( $SgMacro_name = "P C C N" ) elseif ( $SgMacro_number = 57 ) then evaluate ( $SgMacro_name = "P B C M" ) elseif ( $SgMacro_number = 58 ) then evaluate ( $SgMacro_name = "P N N M" ) elseif ( $SgMacro_number = 59 ) then evaluate ( $SgMacro_name = "P M M N" ) elseif ( $SgMacro_number = 1059 ) then evaluate ( $SgMacro_name = "P M M N" ) elseif ( $SgMacro_number = 60 ) then evaluate ( $SgMacro_name = "P B C N" ) elseif ( $SgMacro_number = 61 ) then evaluate ( $SgMacro_name = "P B C A" ) elseif ( $SgMacro_number = 62 ) then evaluate ( $SgMacro_name = "P N M A" ) elseif ( $SgMacro_number = 63 ) then evaluate ( $SgMacro_name = "C M C M" ) elseif ( $SgMacro_number = 64 ) then evaluate ( $SgMacro_name = "C M C A" ) elseif ( $SgMacro_number = 65 ) then evaluate ( $SgMacro_name = "C M M M" ) elseif ( $SgMacro_number = 66 ) then evaluate ( $SgMacro_name = "C C C M" ) elseif ( $SgMacro_number = 67 ) then evaluate ( $SgMacro_name = "C M M A" ) elseif ( $SgMacro_number = 68 ) then evaluate ( $SgMacro_name = "C C C A" ) elseif ( $SgMacro_number = 69 ) then evaluate ( $SgMacro_name = "F M M M" ) elseif ( $SgMacro_number = 70 ) then evaluate ( $SgMacro_name = "F D D D" ) elseif ( $SgMacro_number = 71 ) then evaluate ( $SgMacro_name = "I M M M" ) elseif ( $SgMacro_number = 72 ) then evaluate ( $SgMacro_name = "I B A M" ) elseif ( $SgMacro_number = 73 ) then evaluate ( $SgMacro_name = "I B C A" ) elseif ( $SgMacro_number = 74 ) then evaluate ( $SgMacro_name = "I M M A" ) elseif ( $SgMacro_number = 75 ) then evaluate ( $SgMacro_name = "P 4" ) elseif ( $SgMacro_number = 76 ) then evaluate ( $SgMacro_name = "P 41" ) elseif ( $SgMacro_number = 77 ) then evaluate ( $SgMacro_name = "P 42" ) elseif ( $SgMacro_number = 78 ) then evaluate ( $SgMacro_name = "P 43" ) elseif ( $SgMacro_number = 79 ) then evaluate ( $SgMacro_name = "I 4" ) elseif ( $SgMacro_number = 80 ) then evaluate ( $SgMacro_name = "I 41" ) elseif ( $SgMacro_number = 81 ) then evaluate ( $SgMacro_name = "P -4" ) elseif ( $SgMacro_number = 82 ) then evaluate ( $SgMacro_name = "I -4" ) elseif ( $SgMacro_number = 83 ) then evaluate ( $SgMacro_name = "P 4/M" ) elseif ( $SgMacro_number = 84 ) then evaluate ( $SgMacro_name = "P 42/M" ) elseif ( $SgMacro_number = 85 ) then evaluate ( $SgMacro_name = "P 4/N" ) elseif ( $SgMacro_number = 86 ) then evaluate ( $SgMacro_name = "P 42/N" ) elseif ( $SgMacro_number = 87 ) then evaluate ( $SgMacro_name = "I 4/M" ) elseif ( $SgMacro_number = 88 ) then evaluate ( $SgMacro_name = "I 41/A" ) elseif ( $SgMacro_number = 89 ) then evaluate ( $SgMacro_name = "P 4 2 2" ) elseif ( $SgMacro_number = 90 ) then evaluate ( $SgMacro_name = "P 4 21 2" ) elseif ( $SgMacro_number = 91 ) then evaluate ( $SgMacro_name = "P 41 2 2" ) elseif ( $SgMacro_number = 92 ) then evaluate ( $SgMacro_name = "P 41 21 2" ) elseif ( $SgMacro_number = 93 ) then evaluate ( $SgMacro_name = "P 42 2 2" ) elseif ( $SgMacro_number = 94 ) then evaluate ( $SgMacro_name = "P 42 21 2" ) elseif ( $SgMacro_number = 95 ) then evaluate ( $SgMacro_name = "P 43 2 2" ) elseif ( $SgMacro_number = 96 ) then evaluate ( $SgMacro_name = "P 43 21 2" ) elseif ( $SgMacro_number = 97 ) then evaluate ( $SgMacro_name = "I 4 2 2" ) elseif ( $SgMacro_number = 98 ) then evaluate ( $SgMacro_name = "I 41 2 2" ) elseif ( $SgMacro_number = 99 ) then evaluate ( $SgMacro_name = "P 4 M M" ) elseif ( $SgMacro_number = 100 ) then evaluate ( $SgMacro_name = "P 4 B M" ) elseif ( $SgMacro_number = 101 ) then evaluate ( $SgMacro_name = "P 42 C M" ) elseif ( $SgMacro_number = 102 ) then evaluate ( $SgMacro_name = "P 42 N M" ) elseif ( $SgMacro_number = 103 ) then evaluate ( $SgMacro_name = "P 4 C C" ) elseif ( $SgMacro_number = 104 ) then evaluate ( $SgMacro_name = "P 4 N C" ) elseif ( $SgMacro_number = 105 ) then evaluate ( $SgMacro_name = "P 42 M C" ) elseif ( $SgMacro_number = 106 ) then evaluate ( $SgMacro_name = "P 42 B C" ) elseif ( $SgMacro_number = 107 ) then evaluate ( $SgMacro_name = "I 4 M M" ) elseif ( $SgMacro_number = 108 ) then evaluate ( $SgMacro_name = "I 4 C M" ) elseif ( $SgMacro_number = 109 ) then evaluate ( $SgMacro_name = "I 41 M D" ) elseif ( $SgMacro_number = 110 ) then evaluate ( $SgMacro_name = "I 41 C D" ) elseif ( $SgMacro_number = 111 ) then evaluate ( $SgMacro_name = "P -4 2 M" ) elseif ( $SgMacro_number = 112 ) then evaluate ( $SgMacro_name = "P -4 2 C" ) elseif ( $SgMacro_number = 113 ) then evaluate ( $SgMacro_name = "P -4 21 M" ) elseif ( $SgMacro_number = 114 ) then evaluate ( $SgMacro_name = "P -4 21 C" ) elseif ( $SgMacro_number = 115 ) then evaluate ( $SgMacro_name = "P -4 M 2" ) elseif ( $SgMacro_number = 116 ) then evaluate ( $SgMacro_name = "P -4 C 2" ) elseif ( $SgMacro_number = 117 ) then evaluate ( $SgMacro_name = "P -4 B 2" ) elseif ( $SgMacro_number = 118 ) then evaluate ( $SgMacro_name = "P -4 N 2" ) elseif ( $SgMacro_number = 119 ) then evaluate ( $SgMacro_name = "I -4 M 2" ) elseif ( $SgMacro_number = 120 ) then evaluate ( $SgMacro_name = "I -4 C 2" ) elseif ( $SgMacro_number = 121 ) then evaluate ( $SgMacro_name = "I -4 2 M" ) elseif ( $SgMacro_number = 122 ) then evaluate ( $SgMacro_name = "I -4 2 D" ) elseif ( $SgMacro_number = 123 ) then evaluate ( $SgMacro_name = "P 4/M M M" ) elseif ( $SgMacro_number = 124 ) then evaluate ( $SgMacro_name = "P 4/M C C" ) elseif ( $SgMacro_number = 125 ) then evaluate ( $SgMacro_name = "P 4/N B M" ) elseif ( $SgMacro_number = 126 ) then evaluate ( $SgMacro_name = "P 4/N N C" ) elseif ( $SgMacro_number = 127 ) then evaluate ( $SgMacro_name = "P 4/M B M" ) elseif ( $SgMacro_number = 128 ) then evaluate ( $SgMacro_name = "P 4/M N C" ) elseif ( $SgMacro_number = 129 ) then evaluate ( $SgMacro_name = "P 4/N M M" ) elseif ( $SgMacro_number = 130 ) then evaluate ( $SgMacro_name = "P 4/N C C" ) elseif ( $SgMacro_number = 131 ) then evaluate ( $SgMacro_name = "P 42/M M C" ) elseif ( $SgMacro_number = 132 ) then evaluate ( $SgMacro_name = "P 42/M C M" ) elseif ( $SgMacro_number = 133 ) then evaluate ( $SgMacro_name = "P 42/N B C" ) elseif ( $SgMacro_number = 134 ) then evaluate ( $SgMacro_name = "P 42/N N M" ) elseif ( $SgMacro_number = 135 ) then evaluate ( $SgMacro_name = "P 42/M B C" ) elseif ( $SgMacro_number = 136 ) then evaluate ( $SgMacro_name = "P 42/M N M" ) elseif ( $SgMacro_number = 137 ) then evaluate ( $SgMacro_name = "P 42/N M C" ) elseif ( $SgMacro_number = 138 ) then evaluate ( $SgMacro_name = "P 42/N C M" ) elseif ( $SgMacro_number = 139 ) then evaluate ( $SgMacro_name = "I 4/M M M" ) elseif ( $SgMacro_number = 140 ) then evaluate ( $SgMacro_name = "I 4/M C M" ) elseif ( $SgMacro_number = 141 ) then evaluate ( $SgMacro_name = "I 41/A M D" ) elseif ( $SgMacro_number = 142 ) then evaluate ( $SgMacro_name = "I 41/A C D" ) elseif ( $SgMacro_number = 143 ) then evaluate ( $SgMacro_name = "P 3" ) elseif ( $SgMacro_number = 144 ) then evaluate ( $SgMacro_name = "P 31" ) elseif ( $SgMacro_number = 145 ) then evaluate ( $SgMacro_name = "P 32" ) elseif ( $SgMacro_number = 146 ) then evaluate ( $SgMacro_name = "H 3" ) ! PDB convention for hexagonal R3, ATB 6/15/11 elseif ( $SgMacro_number = 20146 ) then evaluate ( $SgMacro_name = "R 3" ) ! PDB convention for rhombohedral R3, ATB 6/15/11 elseif ( $SgMacro_number = 147 ) then evaluate ( $SgMacro_name = "P -3" ) elseif ( $SgMacro_number = 148 ) then evaluate ( $SgMacro_name = "R -3" ) elseif ( $SgMacro_number = 149 ) then evaluate ( $SgMacro_name = "P 3 1 2" ) elseif ( $SgMacro_number = 150 ) then evaluate ( $SgMacro_name = "P 3 2 1" ) elseif ( $SgMacro_number = 151 ) then evaluate ( $SgMacro_name = "P 31 1 2" ) elseif ( $SgMacro_number = 152 ) then evaluate ( $SgMacro_name = "P 31 2 1" ) elseif ( $SgMacro_number = 153 ) then evaluate ( $SgMacro_name = "P 32 1 2" ) elseif ( $SgMacro_number = 154 ) then evaluate ( $SgMacro_name = "P 32 2 1" ) elseif ( $SgMacro_number = 155 ) then evaluate ( $SgMacro_name = "H 3 2" ) ! PDB convention for hexagonal R32, ATB 6/15/11 elseif ( $SgMacro_number = 20155 ) then evaluate ( $SgMacro_name = "R 3 2" ) ! PDB convention for rhombohedral R32, ATB 6/15/11 elseif ( $SgMacro_number = 156 ) then evaluate ( $SgMacro_name = "P 3 M 1" ) elseif ( $SgMacro_number = 157 ) then evaluate ( $SgMacro_name = "P 3 1 M" ) elseif ( $SgMacro_number = 158 ) then evaluate ( $SgMacro_name = "P 3 C 1" ) elseif ( $SgMacro_number = 159 ) then evaluate ( $SgMacro_name = "P 3 1 C" ) elseif ( $SgMacro_number = 160 ) then evaluate ( $SgMacro_name = "R 3 M" ) elseif ( $SgMacro_number = 161 ) then evaluate ( $SgMacro_name = "R 3 C" ) elseif ( $SgMacro_number = 162 ) then evaluate ( $SgMacro_name = "P -3 1 M" ) elseif ( $SgMacro_number = 163 ) then evaluate ( $SgMacro_name = "P -3 1 C" ) elseif ( $SgMacro_number = 164 ) then evaluate ( $SgMacro_name = "P -3 M 1" ) elseif ( $SgMacro_number = 165 ) then evaluate ( $SgMacro_name = "P -3 C 1" ) elseif ( $SgMacro_number = 166 ) then evaluate ( $SgMacro_name = "R -3 M" ) elseif ( $SgMacro_number = 167 ) then evaluate ( $SgMacro_name = "R -3 C" ) elseif ( $SgMacro_number = 168 ) then evaluate ( $SgMacro_name = "P 6" ) elseif ( $SgMacro_number = 169 ) then evaluate ( $SgMacro_name = "P 61" ) elseif ( $SgMacro_number = 170 ) then evaluate ( $SgMacro_name = "P 65" ) elseif ( $SgMacro_number = 171 ) then evaluate ( $SgMacro_name = "P 62" ) elseif ( $SgMacro_number = 172 ) then evaluate ( $SgMacro_name = "P 64" ) elseif ( $SgMacro_number = 173 ) then evaluate ( $SgMacro_name = "P 63" ) elseif ( $SgMacro_number = 174 ) then evaluate ( $SgMacro_name = "P -6" ) elseif ( $SgMacro_number = 175 ) then evaluate ( $SgMacro_name = "P 6/M" ) elseif ( $SgMacro_number = 176 ) then evaluate ( $SgMacro_name = "P 63/M" ) elseif ( $SgMacro_number = 177 ) then evaluate ( $SgMacro_name = "P 6 2 2" ) elseif ( $SgMacro_number = 178 ) then evaluate ( $SgMacro_name = "P 61 2 2" ) elseif ( $SgMacro_number = 179 ) then evaluate ( $SgMacro_name = "P 65 2 2" ) elseif ( $SgMacro_number = 180 ) then evaluate ( $SgMacro_name = "P 62 2 2" ) elseif ( $SgMacro_number = 181 ) then evaluate ( $SgMacro_name = "P 64 2 2" ) elseif ( $SgMacro_number = 182 ) then evaluate ( $SgMacro_name = "P 63 2 2" ) elseif ( $SgMacro_number = 183 ) then evaluate ( $SgMacro_name = "P 6 M M" ) elseif ( $SgMacro_number = 184 ) then evaluate ( $SgMacro_name = "P 6 C C" ) elseif ( $SgMacro_number = 185 ) then evaluate ( $SgMacro_name = "P 63 C M" ) elseif ( $SgMacro_number = 186 ) then evaluate ( $SgMacro_name = "P 63 M C" ) elseif ( $SgMacro_number = 187 ) then evaluate ( $SgMacro_name = "P -6 M 2" ) elseif ( $SgMacro_number = 188 ) then evaluate ( $SgMacro_name = "P -6 C 2" ) elseif ( $SgMacro_number = 189 ) then evaluate ( $SgMacro_name = "P -6 2 M" ) elseif ( $SgMacro_number = 190 ) then evaluate ( $SgMacro_name = "P -6 2 C" ) elseif ( $SgMacro_number = 191 ) then evaluate ( $SgMacro_name = "P 6/M M M" ) elseif ( $SgMacro_number = 192 ) then evaluate ( $SgMacro_name = "P 6/M C C" ) elseif ( $SgMacro_number = 193 ) then evaluate ( $SgMacro_name = "P 63/M C M" ) elseif ( $SgMacro_number = 194 ) then evaluate ( $SgMacro_name = "P 63/M M C" ) elseif ( $SgMacro_number = 195 ) then evaluate ( $SgMacro_name = "P 2 3" ) elseif ( $SgMacro_number = 196 ) then evaluate ( $SgMacro_name = "F 2 3" ) elseif ( $SgMacro_number = 197 ) then evaluate ( $SgMacro_name = "I 2 3" ) elseif ( $SgMacro_number = 198 ) then evaluate ( $SgMacro_name = "P 21 3" ) elseif ( $SgMacro_number = 199 ) then evaluate ( $SgMacro_name = "I 21 3" ) elseif ( $SgMacro_number = 200 ) then evaluate ( $SgMacro_name = "P M -3" ) elseif ( $SgMacro_number = 201 ) then evaluate ( $SgMacro_name = "P N -3" ) elseif ( $SgMacro_number = 202 ) then evaluate ( $SgMacro_name = "F M -3" ) elseif ( $SgMacro_number = 203 ) then evaluate ( $SgMacro_name = "F D -3" ) elseif ( $SgMacro_number = 204 ) then evaluate ( $SgMacro_name = "I M -3" ) elseif ( $SgMacro_number = 205 ) then evaluate ( $SgMacro_name = "P A -3" ) elseif ( $SgMacro_number = 206 ) then evaluate ( $SgMacro_name = "I A -3" ) elseif ( $SgMacro_number = 207 ) then evaluate ( $SgMacro_name = "P 4 3 2" ) elseif ( $SgMacro_number = 208 ) then evaluate ( $SgMacro_name = "P 42 3 2" ) elseif ( $SgMacro_number = 209 ) then evaluate ( $SgMacro_name = "F 4 3 2" ) elseif ( $SgMacro_number = 210 ) then evaluate ( $SgMacro_name = "F 41 3 2" ) elseif ( $SgMacro_number = 211 ) then evaluate ( $SgMacro_name = "I 4 3 2" ) elseif ( $SgMacro_number = 212 ) then evaluate ( $SgMacro_name = "P 43 3 2" ) elseif ( $SgMacro_number = 213 ) then evaluate ( $SgMacro_name = "P 41 3 2" ) elseif ( $SgMacro_number = 214 ) then evaluate ( $SgMacro_name = "I 41 3 2" ) elseif ( $SgMacro_number = 215 ) then evaluate ( $SgMacro_name = "P -4 3 M" ) elseif ( $SgMacro_number = 216 ) then evaluate ( $SgMacro_name = "F 4 -3 M" ) elseif ( $SgMacro_number = 217 ) then evaluate ( $SgMacro_name = "I -4 3 M" ) elseif ( $SgMacro_number = 218 ) then evaluate ( $SgMacro_name = "P -4 3 N" ) elseif ( $SgMacro_number = 219 ) then evaluate ( $SgMacro_name = "F -4 3 C" ) elseif ( $SgMacro_number = 220 ) then evaluate ( $SgMacro_name = "I -4 3 D" ) elseif ( $SgMacro_number = 221 ) then evaluate ( $SgMacro_name = "P M -3 M" ) elseif ( $SgMacro_number = 222 ) then evaluate ( $SgMacro_name = "P N -3 N" ) elseif ( $SgMacro_number = 223 ) then evaluate ( $SgMacro_name = "P M -3 N" ) elseif ( $SgMacro_number = 224 ) then evaluate ( $SgMacro_name = "P N -3 M" ) elseif ( $SgMacro_number = 225 ) then evaluate ( $SgMacro_name = "F M -3 M" ) elseif ( $SgMacro_number = 226 ) then evaluate ( $SgMacro_name = "F M -3 C" ) elseif ( $SgMacro_number = 227 ) then evaluate ( $SgMacro_name = "F D -3 M" ) elseif ( $SgMacro_number = 228 ) then evaluate ( $SgMacro_name = "F D -3 C" ) elseif ( $SgMacro_number = 229 ) then evaluate ( $SgMacro_name = "I M -3 M" ) elseif ( $SgMacro_number = 230 ) then evaluate ( $SgMacro_name = "I A -3 D" ) end if if ( $SgMacro_name = " " ) then display display Warning: Space group name not found for this number $SgMacro_number display end if {* return the name in "&sgname" *} evaluate ( &sgname = $SgMacro_name ) set message=$message_old echo=$echo_old end