I dont know - it works for me..
That is under Fedora x
Eleanor
mtz2various HKLIN "./ins_pig_zn_T2_hex-unique_refmac1.mtz" HKLOUT
"./ins_pig_zn_T2_hex-unique_refmac1.hkl"
OUTPUT CNS
labin FP=FP SIGFP=SDFP PHIB=PHIC FREE=FreeR_flag
end
On 04/27/2011 07:26 PM, Kelly Daughtry wrote:
> Yes, you are correct, mtz_to_cns is calling up mtz2various.
>
> I have tried many alternatives for the label for Rfree flag with no success.
> I have also tried just asking for F and SIGF, and the output does not
> contain Rfree.
> The next step would be to use make_cv.inp to generate a test test.
> I want to ensure I have my original test set carried over and do it simply
> from the command line.
> The program works perfectly fine within the CCP4 GUI.
>
> If no command line option is found, that is ok.
> I just want to ask everyone to see if it was do-able.
>
> Thanks again!
> Kelly Daughtry
>
>
> *******************************************************
> Kelly Daughtry, Ph.D.
> Post-Doctoral Fellow, Raetz Lab
> Biochemistry Department
> Duke University
> Alex H. Sands, Jr. Building
> 303 Research Drive
> RM 250
> Durham, NC 27710
> P: 919-684-5178
> *******************************************************
>
>
> 2011/4/27 Bjørn Panyella Pedersen<[log in to unmask]>
>
>> mtz_to_cns calls mtz2various as far as I know.
>> If mtz2various works for you then you can use it directly. It too can be
>> run from the commandline. Look for the 'View Files from Job' --> 'View
>> Command Script' in the GUI to get help on syntax or look at the website
>> under examples (http://www.ccp4.ac.uk/html/mtz2various.html).
>>
>> hth
>> -Bjørn
>>
>> --
>> Bjørn Panyella Pedersen
>> Macromolecular Structure Group
>> Dept. of Biochemistry and Biophysics
>> University of California, San Francisco
>>
>>
>>
>> On 2011-04-27 09:58, Kelly Daughtry wrote:
>>
>>> Hello all,
>>> I am been unsuccessful in converting my mtz file into cns format and
>>> bringing along my R-free reflections.
>>>
>>> The interwebs tells me that the label should be FREE=label
>>>
>>> So, on the command line I type:
>>> mtz_to_cns hklin hklout F=F-obs SIGF=SIGF-obs FREE=R-free-flags
>>>
>>> Yet I am always returned with an error that the label FREE is not
>>> recognized.
>>>
>>> I am able to run mtz2various in ccp4 using the GUI just fine with
>>> selecting my R-free flag. The log file of that shows that the R-free
>>> label is indeed FREE.
>>>
>>> Thus, I am confused. How can I get this to run from the command line (so
>>> I don't always have to open the GUI for one task).
>>>
>>> Thanks in advance for any help you can provide!
>>>
>>> Kelly Daughtry
>>>
>>> *******************************************************
>>> Kelly Daughtry, Ph.D.
>>> Post-Doctoral Fellow, Raetz Lab
>>> Biochemistry Department
>>> Duke University
>>> Alex H. Sands, Jr. Building
>>> 303 Research Drive
>>> RM 250
>>> Durham, NC 27710
>>> P: 919-684-5178
>>> *******************************************************
>>>
>>
>>
>>
>>
>
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