Contents

 Index

New features for versions 1.10-1.17 of SOLVE

SOLVE versions starting with 1.16 has a serious bug fixed 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.

The most important new features of SOLVE are: