Much obliged! Thanks,
Jacob On Wed, Sep 7, 2011 at 3:37 AM, Martyn Winn <[email protected]> wrote: > > 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/ * > *********************************************************************** > > -- ******************************************* Jacob Pearson Keller Northwestern University Medical Scientist Training Program cel: 773.608.9185 email: [email protected] *******************************************
