Alexandra,
one of many possible options to do this:
If you have the latest PHENIX installed
(http://www.phenix-online.org/download/nightly_builds.cgi), then you can
use "Reflection file editor" from the main GUI to do what you want.
Pavel.
On 11/17/09 9:49 AM, Alexandra Deaconescu wrote:
> Hello:
>
> I am switching from CNS to Refmac for refinement, and given that my FORTRAN classes were such a long time ago, I am having problems with the conversion. This is the format I give ccp4 (skipped the first 7 lines)
>
>
> '(6X,3F5.0,6X,F10.3,6X,F10.3,6X,F9.3/26X,F10.3,6X,F9.0)'
>
> and here is the beginning of my .cv
>
> NREFlection= 20349
> ANOMalous=FALSe { equiv. to HERMitian=TRUE}
> DECLare NAME=IOBS DOMAin=RECIprocal TYPE=REAL END
> DECLare NAME=SIGI DOMAin=RECIprocal TYPE=REAL END
> DECLare NAME=FOBS DOMAin=RECIprocal TYPE=REAL END
> DECLare NAME=SIGMA DOMAin=RECIprocal TYPE=REAL END
> DECLare NAME=TEST DOMAin=RECIprocal TYPE=INTE END
> INDE 0 0 6 IOBS= 0.100 SIGI= 0.100 FOBS= 0.320
> SIGMA= 0.320 TEST= 0
> INDE 0 0 15 IOBS= 1317.300 SIGI= 92.7
>
>
> The error I get is:
>
> List reflection: 0
> Symmetry to be listed
>
>>>>>>> CCP4 library signal mtz:MTZ header is corrupted: missing tokens in SYMINF record (Error)
>>>>>>>
> raised in MtzGet <<<<<<
> Error: failed to open file for read!
>
> *** Error
> Error reading in HKLIN
> MTZDUMP: *** Program Terminated
> Times: User: 0.0s System: 0.0s Elapsed: 0:00
> </pre>
> </html>
>
> ***************************************************************************
> * Information from CCP4Interface script
> ***************************************************************************
> The program run with command: /gware/ccp4-6.1.2/linux/bin/mtzdump HKLIN "/scratch/deacona/ALS_Aug09_290_1_mtz.tmp"
> has failed with error message
>
> How can I fix this? Also, I just realized that I am running also into the problem that in CNS the test set has Rflag of 1 and in ccp4 it is 0. Is there a way to go around this? I realize that you can also assign 0 to the test set in CNS, but the .cv file has already been made, and I do not know how to easily edit it to convert the Rfreeflag to the ccp4 convention.
>
> I have also tried using the CUT pl script, but it seems it does not work (I did make it into an executable)
>
> Thanks a lot,
> Alex
>
>
>
