Quelltext der Seite Gastons Binaphthyl triple-twist

==3D-Struktur==
<jmol>
  <jmolApplet>
    <size>600</size>
    <uploadedFileContents>Gastons-3er-Ring_SSS.xyz</uploadedFileContents>
    <script>
set frank off;
color background white;
select none;
select selected tog (atomindex=0);
select selected tog (atomindex=5);
select selected tog (atomindex=15);
select selected tog (atomindex=19);
select selected tog (atomindex=67);
select selected tog (atomindex=62);
select selected tog (atomindex=50);
select selected tog (atomindex=49);
select selected tog (atomindex=37);
select selected tog (atomindex=34);
select selected tog (atomindex=26);
select selected tog (atomindex=25);
select selected tog (atomindex=71);
select selected tog (atomindex=70);
select selected tog (atomindex=69);
select selected tog (atomindex=68);
select selected tog (atomindex=41);
select selected tog (atomindex=40);
select selected tog (atomindex=39);
select selected tog (atomindex=38);
select selected tog (atomindex=23);
select selected tog (atomindex=22);
select selected tog (atomindex=21);
select selected tog (atomindex=18);
color red;
select none;
select selected tog (atomindex=0);
select selected tog (atomindex=5);
select selected tog (atomindex=15);
select selected tog (atomindex=19);
select selected tog (atomindex=67);
select selected tog (atomindex=62);
select selected tog (atomindex=50);
select selected tog (atomindex=49);
select selected tog (atomindex=37);
select selected tog (atomindex=34);
select selected tog (atomindex=26);
select selected tog (atomindex=25);
color blue;
set display SELECTED;
    </script>
  </jmolApplet>
</jmol>

==Download==
[[Datei:Gastons-3er-Ring_SSS.xyz]]

[[Datei:Gastons-3er-Ring_SSS.log]]

[[Datei:Gastons-3er-Ring_SSS.txt]]

==Anewwrithm Werte==
Nur die blauen Atome werden als Ringatome definiert, die Atome der linearen roten Diethinyleinheiten werden bei der Berechnung von twist und writhe ignoriert.

 $ anewwrithm 3er-Ring_SSS.log -r 3er-Ring_SSS.txt
   Rsize          CANE  Lk[Pi]          Wr[Pi]          Tw[Pi]   mean(Tw)[deg]   RMSD(Tw)[deg]    max(Tw)[deg]
      12  000100010001       3         1.66011         1.33989         29.9116          28.727         79.4414