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: [email protected] 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 *************************************************************************** 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 -- Scanned by iCritical.
