[ccp4bb]: MOLREP for NMR ensembles

["Steven A. Jacobs" <saj4r@cms.mail.virginia.edu>]

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I am trying to use Molrep to do molecular replacement of an ensemble of
NMR structures using ccp4i.  I have selected the option "If input PDB is
for NMR models then use = multiple models for RF and TF".  The program is
able to use the ensemble of structures to find the rotation, but gives me
the following error when I try to use the ensemble to get the
translations:
   	ERR: OPEN FILE /FOR WRITE/
         NAME :molrp_scratch_rdc;
    EXTENTION :dat;
  ERR: RFFT: OPEN SCRATCH_FILE
 molrep:  Failure

If anyone knows how I can fix this problem, I would greatly appreciate the
help.

thanks,

STeve Jacobs
Graduate Student
Department of Biochemistry
University of Virginia
saj4r@virginia.edu