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: [email protected] * * Fax: +44 1925 603634 Skype name: martyn.winn * * URL: http://www.ccp4.ac.uk/martyn/ * ***********************************************************************
