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Hi Mathias Perhaps someone else has already replied, but it looks to me as if you may not have filled in the (compulsory) 'Water chain id as it appears in the input file' field in the 'Chain details (pdb file input/output)' section of the ccp4i interface. Norman Stein CCP4 -----Original Message----- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] Behalf Of mathias Sent: 22 December 2006 23:49 To: CCP4 bulletin board Subject: [ccp4bb]: Tidy Waters in CCP4 *** For details on how to be removed from this list visit the *** *** CCP4 home page http://www.ccp4.ac.uk *** Hi, I am trying to check water molecules, which I added with Coot. I use the program 'Tidy Waters' (CCP4). The program fails with the error message: ---- ************************************************************************ ** * Information from CCP4Interface script ************************************************************************ *** The program run with command: distang XYZIN /../../..log_1.tmp has failed with error message DISTANG: *** Two limits required*** ************************************************************************ *** #CCP4I TERMINATION STATUS 0 " DISTANG: *** Two limits required***" #CCP4I TERMINATION TIME 22 Dec 2006 15:38:19 #CCP4I MESSAGE Task failed ----- The default value in "Search radii for atom types (Distang) is set to 1.5A for all atom types. Can anyone please give me a tip how to proceed. Thanks, Mathias
