Re: [ccp4bb]: origin in tls

["M.D.Winn" <M.D.Winn@dl.ac.uk>]

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Hi

I'm not aware of any problems with the ORIGIN line.
Well, it works for me. Do you mean the program freezes
at that point, or are there other symptoms? Could 
you send the tls file that causes the problems, please.

You are right about the RANGE line - this is a bug. For
me, it ignores the MNC if the previous space is missing,
and defaults to ALL. (Mind you, I've yet to see a clear
advantage of MNC over ALL, though there might be for
some cases.) I'll send Garib the fix for this.

Regards
Martyn

> 
> ***  For details on how to be removed from this list visit the  ***
> ***          CCP4 home page http://www.ccp4.ac.uk         ***
> 
> Dear ccp4 users:
> 
> I am refining a P1 crystal with refmac5, and I am having problems to do TLS 
> using the TLSOUT file from the previous TLS refinement. I do not have 
> problems to carry out a first tls refinement, and it seems to work 
> properly, but if I use the TLSOUT file to carry out a second tls the 
> computer gets stuck. This does not happen if I erase previously the origin 
> lines from the TLSOUT file (I also modify the range values which seem to 
> change after every refinement, I get something like RANGE  'A   2.' 'A 310. 
> 'MNC    instead of   RANGE  'A   2' 'A 310' MNC).
> I would appreciate any suggestion or explanation about why refmac5 has 
> problems with the origin in P1, or if any other thing could be wrong and I 
> had not notice.
> 
> Many thanks in advance,
> 
> Santiago
> 
> 
> 
> 
> 
> Santiago Ramón-Maiques
> Instituto de Biomedicina de Valencia
> Consejo Superior de Investigaciones Científicas
> C/ Jaime Roig, 11
> 46010 Valencia, Spain
> 
> 
> 
> 


-- 


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*                  Dr. Martyn Winn                                       *
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