Shape-based alignment of molecules |
Written by Sarkis Dallakian | ||||||||
I was looking for an open source project that would do small molecule alignment and I finally found it. There are many publications out there that describe different algorithms for small molecule alignment, but I couldn't find any that I can try myself. I was very excited to read release announcement for Piramid that does exactly what I was looking for. Below are my initial results.
Update: The URL and the name of this tool has been changed since I wrote this post. This tools is now called Shape-itâ„¢ and it's avialabe from http://silicos-it.com/software/software.html. |
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Last Updated on Friday, 31 January 2014 14:51 |