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Just below the cryptic message, you will find - i think, since you did not post the log file and thus i cannot be sure - another line that advices you to look at file n_warpNtrace_refine.last.log. The exact reason that refmac failed will be there. I suspect it will have to do with the SCALE cards on the PDB header. Anastassis Perrakis, NKI (message sent from mobile phone - I am not in the office) - original message - Subject: [ccp4bb]: from CNS to ARP_WARP? From: "Fred. Vellieux" <[EMAIL PROTECTED]> Date: 20/09/2006 06:25 *** For details on how to be removed from this list visit the *** *** CCP4 home page http://www.ccp4.ac.uk *** Dear all (all on the list of course), Is it possible to get from CNS to ARP_WARP? Reason is: I have a molecular replacement solution, which I first checked with CNS (blind refinement using rigid body, B-factor refinement, EM, annealing in torsion angle space, EM, B-f refinement). The starting Rfactors for this model (protein + 2 ions + a cofactor, zero water) are 27.8 and 33%, the data goes to 1.8 A resolution. The solution is correct in all respects, I would love to do as much as possible automagically. Such as solvent molecule introduction and model completion. So I take the PDB from CNS, add a zest of MTZ file, go into ccp4i and crash with a cryptic message (failure due to REFMAC). So I decide to produce a "proper" mtz file using TRUNCATE and crash for the same reason. Then I remove the ions and cofactor (leaving protein only) and crash. Same obscure reason. That is when I look into the log file produced using the GUI. I should add that such cryptic messages have always so far prevented me from using ARP_WARP, after a while I get tired and go back to CNS. Thanks in advance. Fred. -- s-mail: F.M.D. Vellieux (B.Sc., Ph.D.) Institut de Biologie Structurale J.-P. Ebel CEA CNRS UJF 41 rue Jules Horowitz 38027 Grenoble Cedex 01 France Tel: (+33) (0) 438789605 Fax: (+33) (0) 438785494 e-mail: [EMAIL PROTECTED]
