The section 'other refinement remarks' in remark 3 may contain useful information for determining the (last used) refinement program.
Example: 1OHL
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CCP4
REMARK 3 AUTHORS : NULL
...
REMARK 3 OTHER REFINEMENT REMARKS: EARLY ROUNDS OF REFINEMENT PERFORMED
REMARK 3 WITH SHELX-97-2 THEN TLS TENSORS REFINED WITH RESTRAIN.
Obviously, an automatic generalized interpretation is virtually impossible, but we might want to allow for catching these rare cases.
The section 'other refinement remarks' in remark 3 may contain useful information for determining the (last used) refinement program.
Example: 1OHL
Obviously, an automatic generalized interpretation is virtually impossible, but we might want to allow for catching these rare cases.