Gastons Binaphthyl triple-twist: Unterschied zwischen den Versionen
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| Zeile 2: | Zeile 2: | ||
<jmol> | <jmol> | ||
<jmolApplet> | <jmolApplet> | ||
<size>600</size> | |||
<uploadedFileContents>Gastons-3er-Ring_SSS.xyz</uploadedFileContents> | <uploadedFileContents>Gastons-3er-Ring_SSS.xyz</uploadedFileContents> | ||
<script> | <script> | ||
set frank off; | |||
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); | |||
set display SELECTED; | |||
</script> | </script> | ||
</jmolApplet> | </jmolApplet> | ||
Version vom 10. Juni 2010, 17:55 Uhr
3D-Struktur
<jmol>
<jmolApplet> <size>600</size> <uploadedFileContents>Gastons-3er-Ring_SSS.xyz</uploadedFileContents> <script>
set frank off; 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); 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
$ 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