Gastons Binaphthyl triple-twist: Unterschied zwischen den Versionen
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| Zeile 7: | Zeile 7: | ||
select atomno=1; | select atomno=1; | ||
select atomno=2; | select atomno=2; | ||
set display SELECTED; | |||
</script> | </script> | ||
</jmolApplet> | </jmolApplet> | ||
Version vom 10. Juni 2010, 16:42 Uhr
3D-Struktur
<jmol>
<jmolApplet>
<uploadedFileContents>Gastons-3er-Ring_SSS.log</uploadedFileContents>
<script>
select none;
select atomno=1;
select atomno=2;
set display SELECTED;
</script>
</jmolApplet>
</jmol>
Download
Datei:Gastons-3er-Ring SSS.log
Datei:Gastons-3er-Ring SSS.txt
Anewwrithm Werte
$ anewwrithm 3er-Ring_SSS.log -r 3er-Ring_SSS.ring
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