[ccp4bb] refmac5.3 vs refmac5.4

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CCP4bb <-- 2007 <-- December 2007 <-- 05 December 2007

Previous message:
Subject: Unidentified ligand (electron density) found at active site
From: Ronaldo Alves Pinto Nagem nagem {- at -} ICB {- dot -} UFMG {- dot -} BR
Date: 2007-12-05

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Subject: Re: refmac5.3 vs refmac5.4
From: Garib Murshudov garib {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-12-05

Subject: refmac5.3 vs refmac5.4
From: Jianghai Zhu jzhu {- at -} CBR {- dot -} MED {- dot -} HARVARD {- dot -} EDU
Date: 2007-12-05

Hi all,

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 navigation

CCP4bb <-- 2007 <-- December 2007 <-- 05 December 2007

Previous message:
Subject: Unidentified ligand (electron density) found at active site
From: Ronaldo Alves Pinto Nagem nagem {- at -} ICB {- dot -} UFMG {- dot -} BR
Date: 2007-12-05

Next message:
Subject: Re: refmac5.3 vs refmac5.4
From: Garib Murshudov garib {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-12-05