Quick navigation:        Home   |    Site Map   ||    References   |    Biography   ||    Copyright   |    Other copyright   |    Contact us   |   
Protein structure
 

Re: [ccp4bb] fixing position in the refinement: Shelx, refmac5
 

Basic tutorials: 		 
 

CCP4bb navigation

CCP4bb <-- 2008 <-- April 2008 <-- 04 April 2008
Previous message:
Subject: Re: fixing position in the refinement: Shelx, refmac5
From: Garib Murshudov garib {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2008-04-03 		Next message:
Subject: Re: fixing position in the refinement: Shelx, refmac5
From: "George M {- dot -} Sheldrick" gsheldr {- at -} SHELX {- dot -} UNI-AC {- dot -} GWDG {- dot -} DE
Date: 2008-04-04


Subject: Re: fixing position in the refinement: Shelx, refmac5
From: Frank von Delft frank {- dot -} vondelft {- at -} SGC {- dot -} OX {- dot -} AC {- dot -} UK
Date: 2008-04-04
Is that also how you would restrain refinement at low resolution when
using a high-resolution model? (e.g. a 1.8A model into 4A data)

phx.



Garib Murshudov wrote:
> In newer version of refmac you can use harmonic restraints.
> Take the new stable version of refmac from
> www.ysbl.york.ac.uk/YSBLPrograms/index.jsp
>
> and use harmonic restraints as described in:
> http://www.ysbl.york.ac.uk/~garib/refmac/data/refmac_news.html
>
>
> Keyword is:
>
> external harmonic residues from [residue_number] [chain_name] to
> [residue_number] [chain_name] sigma [value] sigma 0.1
>
>
> With the current ccp4i version you can use developers option and add
> an external keyword file that contains this keyword for residues you
> want to fix.
>
> I hope it helps.
>
> Garib
>
> On 4 Apr 2008, at 00:39, U Sam wrote:
>> How one can fix position of few residues when refining in SHELX or
>> Refmac5.
>> Thanks. Sam.
>> _________________________________________________________________
>> Use video conversation to talk face-to-face with Windows Live Messenger.
>> http://www.windowslive.com/messenger/connect_your_way.html?ocid=TXT_TAGLM_WL_Refresh_messenger_video_042008
>>
>

CCP4bb navigation

CCP4bb <-- 2008 <-- April 2008 <-- 04 April 2008
Previous message:
Subject: Re: fixing position in the refinement: Shelx, refmac5
From: Garib Murshudov garib {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2008-04-03 		Next message:
Subject: Re: fixing position in the refinement: Shelx, refmac5
From: "George M {- dot -} Sheldrick" gsheldr {- at -} SHELX {- dot -} UNI-AC {- dot -} GWDG {- dot -} DE
Date: 2008-04-04


ProteinCrystallography.org: Copyright 2006-2008 by Quid United Ltd