[phenixbb] MR error when fix one component and search for the other one

fn1 at rice.edu fn1 at rice.edu
Tue Jun 12 15:41:49 PDT 2012


Hi everyone,

I am trying to fix one component from the previous MR search and try  
to search for the other one, euler and frac are taken from the pdb  
file of the previous run (MR.1.pdb). Here are my input file and error  
message.

Thanks in advance!
Fengyun


automr {
   build=false
   ensemble {
     ensembleID = "mol1"
     copies_to_find = 1
     coords = in.pdb
     RMS = 0.85
   }
   ensemble {
     ensembleID = "mol2"
     copies_to_find = 0
     coords = in.pdb
     RMS = 0.85
   }
   component {
     seq_file="mut.seq"
     component_type = *protein nucleic_acid
     component_copies = 4
   }
  fixed_ensembles {
    fixed_ensembleID_list="mol2"
    fixed_euler_list = 206.66 146.75  96.21
    fixed_frac_list = 0.688 1.011 0.005
  }
}


i get the error message like this,

ENSEMBLE: mol1 , 1 PDB file(s)

ENSEMBLE: mol2 , 1 PDB file(s)

Resolution set to  3.5
Specifying composition through protein sequence file  
/shared.scratch/ni/mut-p222-all/bb-3.5/AutoMR_run_5_/r2/mut.seq 4

Adding Ensemble  mol2  as fixed solution with:
  Euler angles:  [206.66, 146.75, 96.21]
  Coords (orthogonal A):  [0.688, 1.011, 0.005]
*************ERROR ENDING *******************

****************************************
AutoMR Input failed
Python argument types in
     SOLU.addSOLU_6DIM_ENSE(InputMR_AUTO, str, list, bool, list,  
float, bool, bool, bool)
did not match C++ signature:
     addSOLU_6DIM_ENSE(phaser::SOLU {lvalue}, std::string,  
scitbx::vec3<double>, bool, scitbx::vec3<double>, double, bool, bool,  
bool, bool, scitbx::vec3<double>, double)
****************************************
*************ERROR ENDING *******************





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