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Topic: How to calculate ring cavity size?  (Read 3838 times)

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Offline cyanide

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How to calculate ring cavity size?
« on: December 01, 2007, 07:49:32 PM »
anyone here familiar with any computational software than can calculate ring cavity size of a macrocyclic compound?...like crown ethers....any help will be highly appreciated..thank you and more power
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Offline Rabn

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Re: How to calculate ring cavity size?
« Reply #1 on: December 17, 2007, 08:15:31 PM »
You can try ChemSketch. It's freeware and I'm fairly certain that it has a measurement tool. It's a pretty good tool for free. At the very least it will give you a ballpark figure from which to work from.

http://www.acdlabs.com/products/chem_dsn_lab/chemsketch/ 
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