All:



Can anyone help me out here?  I'm trying to get Molrep to run but it seems to be crashing while trying to open some file after it's done the rotation function search.  I'm getting the following error:

**************************************************************

  Number of RF peaks :      30
             theta    phi     chi    alpha    beta   gamma      Rf    Rf/sigma
 Sol_RF   1    44.61  -44.03  112.01  272.52   71.21  180.58    0.3240E+05 10.69
 Sol_RF   2    62.99  136.68  133.64   93.36  109.98    0.00    0.3154E+05 10.40
 Sol_RF   3   111.50 -133.69  138.32   92.40  120.82  179.79    0.2804E+05  9.25
 Sol_RF   4   139.89   46.56  102.16  273.12   60.17    0.00    0.2556E+05  8.43
 Sol_RF   5   147.85   44.94   96.78  271.31   46.89    1.43    0.1701E+05  5.61
 Sol_RF   6   119.97 -108.35  162.70   88.58  117.83  125.29    0.1673E+05  5.52
 Sol_RF   7    56.80  141.24  140.27  107.82  103.81    5.34    0.1650E+05  5.44
 Sol_RF   8    55.15  142.30  142.33  111.46  101.91    6.87    0.1601E+05  5.28
 Sol_RF   9    54.36  143.15  143.09  113.35  100.88    7.05    0.1563E+05  5.16
 Sol_RF  10   115.41 -108.41  160.88   93.02  125.92  129.84    0.1562E+05  5.15
 Sol_RF  11    55.10  137.38  127.36   96.53   94.64    1.77    0.1554E+05  5.13
 Sol_RF  12   142.36   34.36  113.03  254.24   61.23    5.51    0.1539E+05  5.08
 Sol_RF  13   115.81 -141.38  155.86   64.78  123.37  167.54    0.1516E+05  5.00
 Sol_RF  14   147.45   78.25  143.98  279.34   61.55  302.85    0.1501E+05  4.95
 Sol_RF  15   116.29 -141.01  153.70   66.80  121.63  168.82    0.1500E+05  4.95
 Sol_RF  16    75.23  164.12  119.33   97.66  113.14  309.42    0.1461E+05  4.82
 Sol_RF  17   150.03   57.40   91.74  285.64   42.03  350.83    0.1450E+05  4.78
 Sol_RF  18    49.18  -35.04   85.65  266.17   61.92  156.24    0.1437E+05  4.74
 Sol_RF  19   139.72   66.72  124.31  281.42   69.74  327.98    0.1434E+05  4.73
 Sol_RF  20    60.59  -24.12   79.57  268.13   67.75  136.36    0.1434E+05  4.73
 Sol_RF  21   118.54 -105.41  168.98   86.00  121.95  116.82    0.1429E+05  4.71
 Sol_RF  22   109.08 -138.84  156.70   73.40  135.51  171.08    0.1422E+05  4.69
 Sol_RF  23    37.48  -33.22   75.56  268.37   43.78  154.81    0.1417E+05  4.67
 Sol_RF  24   118.00 -105.87  171.24   83.39  123.37  115.14    0.1411E+05  4.65
 Sol_RF  25   119.13 -105.81  169.16   85.22  120.83  116.84    0.1410E+05  4.65
 Sol_RF  26   117.07 -130.56  136.98   90.32  111.87  171.45    0.1403E+05  4.63
 Sol_RF  27   142.78   18.10  126.65  230.35   65.43   14.15    0.1400E+05  4.62
 Sol_RF  28   135.68   14.72  139.96  221.71   82.06   12.27    0.1399E+05  4.62
 Sol_RF  29   146.60   71.15  139.06  275.24   62.10  312.94    0.1397E+05  4.61
 Sol_RF  30    58.45  -20.76   81.24  273.41   67.39  134.93    0.1392E+05  4.59
  Final number of peaks :      30
 INFO:    Relations between peaks see in molrep.doc
  NCS_model (from Model Self rotation Function):     1
  Program will use NCS =:     1
 Sol_
 Sol_--- Multi-copy Search ---
 Sol_
 Sol_ Resmin,Resmax     :   77.32    4.00
 Sol_ Radius_giration        :  30.442
      Radius_max             :  56.282
 Sol_ Chi,Delta              :   0.000  10.000
 Sol_ Dist_min,max,Dpar_max  :    30.442  1000.000  1000.000
 Sol_
 Sol_--- First monomer search ---
 Sol_
 Sol_ RF TF   Tf/sig    TFcntrst PKind PKmax PKmin   Rfac  Scor Scor_max Cntrst
 Open failed: Unit:   8, File: /home/caruthej/bo3/ccp4/bo3P1_11_molrep_/home/caruthej/bo3/ccp4/bo3P1_11_molrep_trfn_scr.crd (logical: /home/caruthej/bo3/ccp4/bo3P1_11_molrep_/home/caruthej/bo3/ccp4/bo3P1_11_molrep_trfn_scr.crd)
 MOLREP(ccp4):   Open failed: File: /home/caruthej/bo3/ccp4/bo3P1_11_molrep_/home/caruthej/bo3/ccp4/bo3P1_11_molrep_trfn_scr.crd               
Times: User:      82.2s System:    1.2s Elapsed:     1:35  
</pre>
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***************************************************************************
* Information from CCP4Interface script
***************************************************************************
The program run with command: /usr/local/ccp4-6.1.0/ccp4-6.1.0/bin/molrep PATH_SCR "/home/caruthej/bo3/ccp4/bo3P1_11_molrep_" PATH_OUT "/home/caruthej/bo3/ccp4/bo3P1_11_molrep_" HKLIN "/home/caruthej/bo3/P1/ccp4/merged.mtz" MODEL "/home/caruthej/bo3/P1/cns/model.pdb" 
has failed with error message
Last system error message: No such file or directory
 MOLREP(ccp4):   Open failed: File: /home/caruthej/bo3/ccp4/bo3P1_11_molrep_/home/caruthej/bo3/ccp4/bo3P1_11_molrep_trfn_scr.crd               
***************************************************************************


#CCP4I TERMINATION STATUS 0 "Last system error message: No such file or directory  MOLREP(ccp4):   Open failed: File: /home/caruthej/bo3/ccp4/bo3P1_11_molrep_/home/caruthej/bo3/ccp4/bo3P1_11_molrep_trfn_scr.crd               "
#CCP4I TERMINATION TIME 26 Feb 2010  11:34:11
#CCP4I MESSAGE Task failed

*************************************************************

It appears to be trying to open some kind of file necessary to perform the translation function, but I can't get any hits even googling up "molrep_trfn_scr.crd" to figure out what that file is all about, what it means, and why Molrep needs it.  If anybody familiar with Molrep out there can help me out, it would be greatly appreciated.  We recently upgraded our machines here and some things were shifted around and I've been chasing bugs ever since so it wouldn't surprise me if something got moved or if there's some problem with my path so that Molrep can no longer find this file, or if there's some permissions error so it can't write it out or something along those lines, but if anyone out there knows a little more about what's going on and is willing to help me out, please feel free to post a solution to the board, or to contact me directly at [log in to unmask] - the latter being the best way to get me.  Thanks in advance for any help anyone can provide.



Sincerely,


Jon Caruthers
Stowell Lab
University of Colorado
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