Yes, the program does need the (binary) data file cif_mmdic.lib which is
created from the cif_mm.dic file.
This should be in the directory C:\CCP4-Packages\ccp4-6.2.0\lib and NOT
C:\CCP4-Packages\ccp4-6.2.0\lib\data as you have.
Which suggests that the environment variable MMCIFDIC is set wrongly.
And if I look at my windows installation .... mmm yes it is set wrong
and cif2mtz indeed fails. Edit it in system -> advanced -> environment
variables (or whatever ....), restart ccp4i, and voila it works!
So sorry, this looks like a cock-up in the windows distribution :(
HTH
Martyn
On Tue, 2011-09-06 at 16:34 -0500, Jacob Keller wrote:
> Dear Crystallographers,
>
> in trying to convert a mmcif to mtz, I get the logfile below. I looked
> in the directory, and there is a file cf_mm.dic, but this is
> presumably not the same as the similar .lib file. Any thoughts about
> this? Did the file somehow get lost? Also, I recently did this same
> conversion to another file without problems...
>
> Jacob Keller
>
>
>
> #CCP4I VERSION CCP4Interface 2.1.0
> #CCP4I SCRIPT LOG import
> #CCP4I DATE 06 Sep 2011 16:29:11
> #CCP4I USER 'UNKNOWN'
> #CCP4I PROJECT 3mgl
> #CCP4I JOB_ID 3
> #CCP4I SCRATCH C:/Ccp4Temp
> #CCP4I HOSTNAME chloe
> #CCP4I PID 2728
>
> <html> <!-- CCP4 HTML LOGFILE -->
> <hr>
> <pre>
>
> ###############################################################
> ###############################################################
> ###############################################################
> ### CCP4 6.2: cif2mtz version 6.2 : 16/11/09##
> ###############################################################
> User: Jacob Run date: 6/ 9/2011 Run time: 16:29:19
>
>
> Please reference: Collaborative Computational Project, Number 4. 1994.
> "The CCP4 Suite: Programs for Protein Crystallography". Acta Cryst.
> D50, 760-763.
> as well as any specific reference in the program write-up.
>
> Data line--- title [No title given]
> Data line--- symmetry P4212
>
> Spacegroup information obtained from library file:
> Logical Name: SYMINFO Filename:
> C:\CCP4-Packages\ccp4-6.2.0\lib\data\syminfo.lib
>
> Data line--- cell 90.91 90.91 65.21 90.0 90.0 90.0
> Data line--- end
> >>>> CCIF signal CCIF_FOPEN (severity: SEVERE ERROR/FATAL) <<<<
> (Raised in zzs_undump)
> Cannot open file C:\CCP4-Packages\ccp4-6.2.0\lib\data\cif_mmdic.lib for reading!
>
> ***************************************************************************
> * Information from CCP4Interface script
> ***************************************************************************
> The program run with command: cif2mtz HKLIN
> "C:/Users/Jacob/Desktop/structures/PDB_3mgl/3mgl-sf.cif" HKLOUT
> "C:/Ccp4Temp/3mgl_3_1_mtz.tmp"
> has failed with error message
> child process exited abnormally
> ***************************************************************************
>
>
> #CCP4I TERMINATION STATUS 0 "child process exited abnormally"
> #CCP4I TERMINATION TIME 06 Sep 2011 16:29:19
> #CCP4I MESSAGE Task failed
>
--
***********************************************************************
* *
* Dr. Martyn Winn *
* *
* STFC Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, U.K. *
* Tel: +44 1925 603455 E-mail: [log in to unmask] *
* Fax: +44 1925 603634 Skype name: martyn.winn *
* URL: http://www.ccp4.ac.uk/martyn/ *
***********************************************************************
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