Re: [ccp4bb] refmac5.3 vs refmac5.4

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

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

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Subject: Re: refmac5.3 vs refmac5.4
From: Anastassis Perrakis a {- dot -} perrakis {- at -} NKI {- dot -} NL
Date: 2007-12-05

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

Weights are the same. 5.4 has a lot of small bug fixes and
performance enhancement and some added stability things.
And some new features I am planning to announce soon.

Since I am responsible, my extremely biased view is that 5.4 is better.

Garib

On 5 Dec 2007, at 13:05, Jianghai Zhu wrote:

> 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 <-- 1999 <-- November 1999 <-- 30 November 1999

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

Next message:
Subject: Re: refmac5.3 vs refmac5.4
From: Anastassis Perrakis a {- dot -} perrakis {- at -} NKI {- dot -} NL
Date: 2007-12-05