Hi Joe The problem is that your dataset name contains colons, which Windows does not like. This is probably because your original mtz file was generated using scalepack2mtz or dtrek2mtz and you did not explicitly set a dataset name, so that a default was chosen based on the date and time and using colons as separators. You can get round this by switching off Data harvesting when you run Refmac, or by changing the dataset name using CAD. Norman Norman Stein CCP4 Daresbury Laboratory
________________________________ From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of JOE CRYSTAL Sent: 20 March 2009 17:33 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Refmac failed at the end of run Hi all, I am using refmac in ccp4i 6.1.1 (installed in windows). It runs well when using automatic weight, but failed when using user-specified weight (0.12 in this case). I attach the error message as follow. Your help is very much appreciated. ...... 18 0.2064 0.2348 0.846 407628. 21897.0 0.0075 0.318 1.170 0.502 0.076 19 0.2065 0.2343 0.846 407625. 21896.4 0.0075 0.318 1.169 0.501 0.076 20 0.2065 0.2347 0.846 407629. 21897.3 0.0075 0.318 1.167 0.501 0.076 $$ $TEXT:Warning: $$ comment $$ WARNING: CCPOPN Logical name C:/Chen/Xtal/cvir/472cr8_c10/work2/refmac/DepositFiles/472cr8nsls/unknow n211008:17:49:34.refmac has no asso $$ Open failed: Unit: 9, File: C:/Chen/Xtal/cvir/472cr8_c10/work2/refmac/DepositFiles/472cr8nsls/unknow n211008:17:49:34.refmac (logical: C:/Chen/Xtal/cvir/472cr8_c10/work2/refmac/DepositFiles/472cr8nsls/unknow n211008:17:49:34.refmac) Refmac_5.5.0072: Open failed: File: C:/Chen/Xtal/cvir/472cr8_c10/work2/refmac/DepositFiles/472cr8nsls/unknow n211008:17:49:34.refmac Times: User: 0.0s System: 0.0s Elapsed: 27:38 </pre> </html> ************************************************************************ *** * Information from CCP4Interface script ************************************************************************ *** The program run with command: refmac5 XYZIN "C:/Chen/Xtal/cvir/472cr8_c10/work2/refmac/472cr8c10_v1-coot-4_refmac1.p db" XYZOUT "C:/Ccp4Temp/47crc10_3_2_pdb_1.tmp" HKLIN "C:/Chen/Xtal/cvir/472cr8_c10/work2/refmac/472cr8nsls_refmac1.mtz" HKLOUT "C:/Ccp4Temp/47crc10_3_3_mtz_1.tmp" LIBIN "C:/Chen/Xtal/cvir/472cr8_c10/work2/refmac/libcheck_C10.cif" TLSIN "C:/Chen/Xtal/cvir/472cr8_c10/work2/refmac/472cr8c10_v1-coot-4_edit_tls1 _refmac1.tls" TLSOUT "C:/Ccp4Temp/47crc10_3_4_tls_1.tmp" LIBOUT "C:/Chen/Xtal/cvir/472cr8_c10/work2/refmac/47crc10_3_lib.cif" has failed with error message Last system error message: Unknown error Refmac_5.5.0072: Open failed: File: C:/Chen/Xtal/cvir/472cr8_c10/work2/refmac/DepositFiles/472cr8nsls/unknow n211008:17:49:34.refmac ************************************************************************ *** #CCP4I TERMINATION STATUS 0 Last system error message: Unknown error Refmac_5.5.0072: Open failed: File: C:/Chen/Xtal/cvir/472cr8_c10/work2/refmac/DepositFiles/472cr8nsls/unknow n211008:17:49:34.refmac #CCP4I TERMINATION TIME 20 Mar 2009 13:23:28 #CCP4I MESSAGE Task failed -- Best regards, Joe
