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[ccp4bb] monomer library in refmac5 |
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CCP4bb navigationCCP4bb <-- 2007 <-- February 2007 <-- 28 February 2007Subject: monomer library in refmac5 From: zhu5 {- at -} PURDUE {- dot -} EDU Date: 2007-02-28 I have some N-acetyl-glucosamine (NAG) in my structure. When I searched the monomer library in CCP4 6.0.1, I found out that NAG is actually N-acetyl-glucose, which is much less common, I believe. I downloaded the high-resolution structure of N-acetyl-glucosamine from HIC-UP and used sketcher to generate a cif library. I named the sugar NAG. I read this new cif file into refmac5 (5.3) and used "make check none" in the refinement. I thought my library would overwrite the NAG in the monomer library in CCP4, but refmac5 still use the NAG it found from the monomer library. Is there anyway to make sure refmac5 will use my library even there is another one in the monomer library with the same name? Thanks. Jianghai CCP4bb navigationCCP4bb <-- 2007 <-- February 2007 <-- 28 February 2007 |
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