SOLVE has even better MAD phasing! SOLVE now re-refines
scattering factors using the final heavy atom parameters, improving the
final phases. In combination with version
1.04 of resolve, the final maps are greatly improved over version 1.17.
Must faster search for solutions:
SOLVE now follows only the very best solution by default, greatly speeding
up the search in most cases.
SOLVE versions starting with 1.16 fix a serious bug that was present in
versions 1.10 to 1.15. This bug was that upon conversion from SOLVE's asymmetric
unit to the CCP4 asymmetric unit (done in routine "SOLVE" for all data,
whether mtz input or not) the phase of FA relative to Fp was not swapped
when the asymmetric unit changed. This affects the difference Fouriers
calculated by SOLVE for space groups where the CCP4 and SOLVE asymmetric
units for reflections are not the same.
SOLVE version 1.17 fixes some array dimensioning errors in versions up
to 1.16 that can cause it to hang when finding very large numbers (50 or
so) sites.
Solve version 1.17 sets the default of "resolution_steps" to 1 (it was
3 in previous versions). This improves MIR results for polar space groups
but could slow down Solve in some cases.