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Re: [ccp4bb]: Using TLS refinement
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Dear Rafal,
I usually use first tls.in with no T L S matrices. Usually convergence reaches
in few cycles. Resusing of previous cycle TLS parameters is good idea if
coordinates don't change.
regards
Garib
On Friday 14 Jun 2002 11:35 am, Rafal Dolot wrote:
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>
>
> Hello,
>
> I working with data of protein: two chains (155 AA) in AU, space group 18
>
> I using a Refmac5 with TLS refinement. I've got question about it:
>
> At first stage of TLS refinement I use a file tls.in, in which I
> described information about my protein (number of chains, parts of protein
> to TLS refinement). Output file from refinement is tls.out, which give me
> information about TLS tensors. What file I should use to next
> stage of refinement after rebuilding model? tls.in or tls.out with
> tensors?
>
> When I use tls.in again, I obtained better R/Rfree factor than for tls.out
>
> Best regards
>
> Rafal
>
> * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
> * *
> * Rafal Dolot *
> * *
> * EMBL Hamburg Outstation Technical University of Lodz *
> * c/o DESY, Notkestrasse 85 Institute of Technical Biochemistry *
> * D22603 Hamburg Stefanowskiego 4/10 *
> * 90-924 Lodz, Poland *
> * *
> * Email *
> * rdolot@embl-hamburg.de rafadol@ck-sg.p.lodz.pl *
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--
Garib N. Murshudov, Chemistr Department, University of York
Tel: (01904) 432565