[sharp-discuss] ISYM column
Phil Evans
pre at mrc-lmb.cam.ac.uk
Wed Aug 25 10:21:24 CEST 2010
ctruncate ought to output ISYM and may do in future when someone gets round to it.
ctruncate gives some more useful statistics than old truncate.
In due course I shall probably incorporate ctruncate into my successor program to Scala (working title Aimless), and I'll probably output ISYM (but see point 2 below)
The longer answers are:-
1. ISYM only makes a marginal difference anyway in nearly all cases (though it should be used)
2. there has been a (slow) move in the CCP4 programs to use F+ & F- (or indeed I+ & I-), rather than Fmean & Dano, which is arguably better, since programs can then decide themselves what to do
3. Sharp/autoSharp works on files without ISYM as long as you give a blank assignment
Phil
On 24 Aug 2010, at 23:06, Florian Schmitzberger wrote:
> Dear David,
>
> Thank you! Done.
>
> Out of curiosity, does anybody know why ctruncate, in contrast to the
> old truncate, is not adding the ISYM/Y column to the mtz file anymore?
> Should a pointer be added to the Sharp manual about this?
>
> Cheers,
>
> Florian
>
> On Aug 24, 2010, at 5:53 PM, David Veesler wrote:
>
>> Dear Florian,
>> to overcome this issue the simplest way is to just re-run your scala
>> job but choosing the "old truncate".
>> That will generate the missing ISYM column.
>>
>> All the best
>> David
>>
>> Le 24 août 10 à 23:42, Florian Schmitzberger a écrit :
>>
>>> Dear All,
>>>
>>> The mtz file from my Scala run does not contain the ISYM/Y column,
>>> required for Autosharp. From the ccp4i gui I could not find an option
>>> to add the column within the Scala window to the mtz file.
>>>
>>> I was wondering if one needs to run truncate separately, after scala,
>>> to add the ISYM column for the mtz file?
>>>
>>> Thank you in advance!
>>>
>>> Florian
>>>
>>> -----------------------------------------------------------
>>> Florian Schmitzberger
>>> Biological Chemistry and Molecular Pharmacology
>>> Harvard Medical School
>>> 250 Longwood Avenue, SGM 130
>>> Boston, MA 02115, US
>>> Tel: 001 617 432 5602
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> -----------------------------------------------------------
> Florian Schmitzberger
> Biological Chemistry and Molecular Pharmacology
> Harvard Medical School
> 250 Longwood Avenue, SGM 130
> Boston, MA 02115, US
> Tel: 001 617 432 5602
>
>
>
>
>
>
>
>
>
>
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