Re: [ccp4bb] Feature of CCP4i for 6.0.99 (SIGF/Weight label menu)

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From: Karl Gruber karl {- dot -} gruber {- at -} UNI-GRAZ {- dot -} AT
Date: 2008-03-13

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Subject: Re: Feature of CCP4i for 6.0.99 (SIGF/Weight label menu)
From: "P {- dot -} J {- dot -} Briggs" p {- dot -} j {- dot -} briggs {- at -} DL {- dot -} AC {- dot -} UK
Date: 2008-03-13

Subject: Re: Feature of CCP4i for 6.0.99 (SIGF/Weight label menu)
From: Serge Cohen s {- dot -} cohen {- at -} NKI {- dot -} NL
Date: 2008-03-13

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Hello Peter;

The problem I observed is indeed corresponding to what you say should
be fixed.

To answer Leo, this is a problem of the interface alone, indeed the
'way out' when using the buggy interface is to use the 'Run and See
Batch file' to submit the job, and edit the command in the editor
that pops up.

Serge.

Le 13 mars 08 à 10:17, P.J.Briggs a écrit :

> Hello Serge
>
> I have to say that your message wasn't very clear to me, but Leo's
> email
> made me wonder if this isn't related to a bug in CCP4i in the 6.0.99
> releases, which meant that only a subset of labels were made available
> to the user for things like the weighting.
>
> This was a bug introduced after 6.0.2 (rather than being a concious
> decision to reduce the options available to the user) and should be
> have
> been fixed for later 6.0.99 releases.
>
> If this isn't the problem then please do provide more information.
>
> Thanks & best wishes
>
> Peter
>
> Serge Cohen wrote:
>> Hello;
>>
>>
>> While using the CCP4 version 6.0.99 during the Bangalore workshop, I
>> realised that it is not any more possible to "freely" choose the
>> weight/sigma labels from a mtz input file. In particular when
>> trying to
>> use phases coming from refmac (after MR + rigid body) with there
>> FoM as
>> input to DM (for NCS averaging) it is not possible to select the FOM
>> from refmac as the weight for PHIC...
>>
>> While I fill that the 6.0.99 implemetation is safer in the way
>> that it
>> prevents easy wrong input of the weight/sigma, it is sometime
>> necessary
>> to be able to select 'non-standard' weight/sigma (using ie. the "list
>> labels" possibilities present in 6.0).
>>
>> I've discussed the matter with Martyn during the workshop, but don't
>> hesitate to ask me for more details if this messag is not clear
>> enough.
>>
>> Cheers;
>>
>> Serge.
>>
>>
>> *******************************************************************
>> Dr. Serge COHEN
>> GPG Key ID: 0B5CDAEC
>>
>> N.K.I.
>> Department of Molecular Carcinogenesis
>> Plesmanlaan 121
>> 1066 CX Amsterdam; NL
>>
>> E-Mail: s.cohen@nki.nl
>> Tel : +31 20 512 2053
>> *******************************************************************
>>
>>
>>
>
> --
> ___________________________________________________
> Peter J Briggs, pjx@dl.ac.uk Tel: +44 1925 603826
> CCP4, ccp4@dl.ac.uk Fax: +44 1925 603825
> http://www.ccp4.ac.uk/
> Daresbury Laboratory, Daresbury, Warrington WA4 4AD

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Previous message:
Subject: PhD program on 'molecular enzymology', open positions
From: Karl Gruber karl {- dot -} gruber {- at -} UNI-GRAZ {- dot -} AT
Date: 2008-03-13