Dear Jiamu,
Please try installing the updated Refmac executable available from the CCP4 website at: http://www.ccp4.ac.uk/updates/#windows This may eliminate the problem. If not let me know and I will look at the issue in more detail. Kind regards, Ronan Ronan Keegan CCP4 Group From: CCP4 bulletin board [mailto:[email protected]] On Behalf Of Jiamu Du Sent: 19 May 2009 13:29 To: [email protected] Subject: [ccp4bb] Refmac5 error Dear All, I am using Refmac5 version 5.5.0066 of CCP4 6.1.0 on Windows XP system. The program ran well initially but failed at the end and reported an error as below: Ncyc Rfact Rfree FOM -LL -LLfree rmsBOND zBOND rmsANGL zANGL rmsCHIRAL $$ $$ 0 0.2750 0.2799 0.793 109790. 5928.3 0.0155 0.646 1.731 0.763 0.116 1 0.2627 0.2986 0.772 109178. 6003.5 0.0253 1.054 2.050 0.932 0.151 $$ $TEXT:Warning: $$ comment $$ WARNING: CCPOPN Logical name F:/structure/refine/garbage/w35/r2/DepositFiles/w35/unknown021207:20:46: 38.refmac has no associated file na $$ Open failed: Unit: 9, File: F:/structure/refine/garbage/w35/r2/DepositFiles/w35/unknown021207:20:46: 38.refmac (logical: F:/structure/refine/garbage/w35/r2/DepositFiles/w35/unknown021207:20:46: 38.refmac) Refmac_5.5.0066: Open failed: File: F:/structure/refine/garbage/w35/r2/DepositFiles/w35/unknown021207:20:46: 38.refmac Times: User: 0.0s System: 0.0s Elapsed: 1:04 </pre> </html> ************************************************************************ *** * Information from CCP4Interface script ************************************************************************ *** The program run with command: refmac5 XYZIN "F:/structure/refine/garbage/w35/r2/3_molrep_refmac1.pdb" XYZOUT "F:/tmp/35_1_2_pdb_1.tmp" HKLIN "F:/structure/refine/garbage/w35/r2/output_22A_refmac2.mtz" HKLOUT "F:/tmp/35_1_3_mtz_1.tmp" LIBOUT "F:/structure/refine/garbage/w35/r2/35_1_lib.cif" has failed with error message Last system error message: Unknown error Refmac_5.5.0066: Open failed: File: F:/structure/refine/garbage/w35/r2/DepositFiles/w35/unknown021207:20:46: 38.refmac ************************************************************************ *** #CCP4I TERMINATION STATUS 0 Last system error message: Unknown error Refmac_5.5.0066: Open failed: File: F:/structure/refine/garbage/w35/r2/DepositFiles/w35/unknown021207:20:46: 38.refmac #CCP4I TERMINATION TIME 19 May 2009 20:26:07 #CCP4I MESSAGE Task failed The data and model are tested to be refined well on a Linux system. Is there any suggestion? Thanks and best wishes. -- Jiamu Du, Ph.D. State Key Laboratory of Molecular Biology Institute of Biochemistry and Cell Biology Shanghai Institutes for Biological Sciences Chinese Academy of Sciences 320 Yue-Yang Road Shanghai 200031 P. R. China Tel: +86-21-5492-1117 E-mail: [email protected]
