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