Your format string works for me. It's hard to say what has gone wrong without seeing how you ran it. Perhaps you could send me the complete log file?
If you choose column type X X-plor Rfree, then it should convert automatically between the conventions.
HTH
Martyn
-----Original Message-----
From: CCP4 bulletin board on behalf of Alexandra Deaconescu
Sent: Tue 11/17/2009 5:49 PM
To: [log in to unmask]
Subject: [ccp4bb] converting .cv to mtz
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
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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
--
Alexandra M. Deaconescu, Ph.D.
Damon Runyon Cancer Research Foundation Postdoctoral Fellow
Grigorieff Laboratory
Brandeis University
Rosenstiel Center
415 South St. MS-029
Waltham, MA 02454
For deliveries:
c/o Grigorieff Laboratory
Brandeis University
415 South St.
Kalman Receiving Dock
Waltham, MA 02454
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