Anewwrithm.exe: Unterschied zwischen den Versionen
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Image:Wendeltreppe.png | Molekül aus Rzepas paper | Image:Wendeltreppe.png | Molekül aus Rzepas paper | ||
Image:Gaston_triple_twist_MO_119.png | Gaston's triple twist | Image:Gaston_triple_twist_MO_119.png | Gaston's triple twist - MO 119 (B3LYP/6-31G*) | ||
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Version vom 16. März 2009, 18:47 Uhr
Twist and Writhe in annulenes
Molekül aus Rzepas paper
Gaston's triple twist - MO 119 (B3LYP/6-31G*)
Synopsis
Bestimmung von Twist, Writhe und Linking number in Molekülen.
http://134.245.135.211/anewwrithm/html/
Nützlich für:
- conformational search
- Annulene
Roadmap
Installation
- alle acid-Rechner (wahrscheinlich gerade veraltet)
- http://134.245.135.211/anewwrithm/html/install.html
- Gitrepo: sftp://acid8/home/koehler/gitmaster/cpp_thesis/anewwrithm
Usage
Kommandozeile. Beispiel:
anewwrithem example.mol
Longhelp
Usage: anewwrithm <Options> <filename> Options: --verbose, -v : verbose output --help, -h : print help and exit