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[ccp4bb] refmac5.3 vs refmac5.4 |
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CCP4bb navigationCCP4bb <-- 2007 <-- December 2007 <-- 05 December 2007Subject: refmac5.3 vs refmac5.4 From: Jianghai Zhu jzhu {- at -} CBR {- dot -} MED {- dot -} HARVARD {- dot -} EDU Date: 2007-12-05 I updated refmac5.3 to refmac5.4 and found out that the reported RMSDs are quite different from these two versions even the refining protocols are the same. refmac5.3 rmsBOND rmsANGLE rmsCHIRAL 0.006 0.694 0.046 refmac5.4 rmsBOND rmsANGLE rmsCHIRAL 0.015 1.150 0.004 The R and Rfree are very similar from these two versions of refmac5. Does refmac5.4 have different geometry weights from refmac5.3? Which one is more reasonable? Thanks. Jianghai +++++++++++++++++++++++++++++++ Jianghai Zhu, Ph.D CBR Institute for Biomedical Research Department of Pathology Harvard Medical School 200 Longwood Ave., Boston, MA 02115 Ph: 617-278-3211 Fx: 618-278-3232 +++++++++++++++++++++++++++++++ CCP4bb navigationCCP4bb <-- 2007 <-- December 2007 <-- 05 December 2007 |
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