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I have added wateras to my my structure using arp-warp. I now wish to rationalize them using watertidy (ccp4i v. 5.02). In the watertidy log a warning appears: "Post CCP4 V4.2, WATERTIDY _CANNOT_ read the log file * output directly from DISTANG. * Instead the OUTPUT DISTOUT option of DISTANG must be * used, and the resulting DISTOUT file will be formatted * appropriately for input into WATERTIDY" However, the watertidy command script has the line OUTPUT - distout and the log file says DISTANG is being run. I don't really understand what the warning wants me to do. The log-file then goes on with numerous lines (every 100th monitored) saying that "No apparent H bond for this close contact..." The only pdb-output I get is a pdb-file with (apparently suspicious) water molecules. I would have expected to get also a pdb-file with the whole structure including the accepted waters, or have I misunderstood something? Kaj Stenberg
