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Xtal: bonds and angles dialog had wrong description of the symmetry operations.
authortoshinagata1964 <toshinagata1964@a2be9bc6-48de-4e38-9406-05402d4bc13c>
Fri, 28 Mar 2014 05:25:57 +0000 (05:25 +0000)
committertoshinagata1964 <toshinagata1964@a2be9bc6-48de-4e38-9406-05402d4bc13c>
Fri, 28 Mar 2014 05:25:57 +0000 (05:25 +0000)
git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@516 a2be9bc6-48de-4e38-9406-05402d4bc13c

Scripts/crystal.rb

index 5b68054..2a94ef8 100755 (executable)
@@ -1079,7 +1079,7 @@ def cmd_bond_angle_with_sigma
                end
          elsif (col >= 4 && col <= 6) && (vv = values[row][col - 4]).is_a?(Integer)
            if (s = mol.atoms[vv].symop) != nil
-                 v = sprintf("%d_%d%d%d", s[0], s[1] + 5, s[2] + 5, s[3] + 5)
+                 v = sprintf("%d_%d%d%d", s[0] + 1, s[1] + 5, s[2] + 5, s[3] + 5)
                else
                  v = "."
                end