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From: erapp <er...@mi...> - 2010-12-22 18:35:02
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Craig, Previously, an off-the-shelf product had been used to create these fragments. As I try to recreate that fragmentation process, I am tasked with basically creating any fragment imaginable of a given length. I don't try to break at a ring or any specific bond, rather it really becomes a tree problem. I need to find every possible tree fragment that is unique. Thanks! Elliot -- View this message in context: http://forums.openbabel.org/Fragmentation-tp3159761p3161054.html Sent from the openbabel-devel mailing list archive at Nabble.com. |