Dear Carlo,
I reproduced the error message.
However, if I modified the lines in the cbf header,
get_orientation_matrix() returned the correct values.
Here is the modified header lines:
_diffrn_orient_matrix.type ub_matrix_test
_diffrn_orient_matrix.UB[1][1] 0.083424
_diffrn_orient_matrix.UB[1][2] -0.076007
_diffrn_orient_matrix.UB[1][3] -0.078787
_diffrn_orient_matrix.UB[2][1] -0.103374
_diffrn_orient_matrix.UB[2][2] -0.075939
_diffrn_orient_matrix.UB[2][3] -0.01146
_diffrn_orient_matrix.UB[3][1] -0.034434
_diffrn_orient_matrix.UB[3][2] 0.043832
_diffrn_orient_matrix.UB[3][3] -0.156476
Best regards,
Keitaro
2012/12/5
Hello, I would like to add the orientation matrix information in the cbf file. Following the description in sections 3.2.2.2.3 of IUCr (G), I added the following lines in the cbf header:
_diffrn_orient_matrix_type ub_matrix_test _diffrn_orient_matrix_UB_11 0.083424 _diffrn_orient_matrix_UB_12 -0.076007 _diffrn_orient_matrix_UB_13 -0.078787 _diffrn_orient_matrix_UB_21 -0.103374 _diffrn_orient_matrix_UB_22 -0.075939 _diffrn_orient_matrix_UB_23 -0.01146 _diffrn_orient_matrix_UB_31 -0.034434 _diffrn_orient_matrix_UB_32 0.043832 _diffrn_orient_matrix_UB_33 -0.156476
When I try to read back the values with: get_orientation_matrix() I get the following error:
UBm = cbf_handle.get_orientation_matrix() File "~/CCTBX/cctbx_plus_build/lib/pycbf.py", line 3915, in get_orientation_matrix return _pycbf.cbf_handle_struct_get_orientation_matrix(self) Exception: CBFlib Error(s): CBF_NOTFOUND
If I use set_orientation_matrix() to write the cbf file, I get a similar error.
Does anyone have any suggestion on how to solve this?
Thanks in advance, Carlo Vecchini
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