Conclusions

• The WR33 structure almost ready for refinement stage. I am starting to be confident with current coordinates

• Dali search shows similarity with calcium binding proteins

• Current status of software tools make possible fast reprocessing/reassigning (interactive 'feeling' )

• One has to focus on the project of structure determination to avoid time consuming silly mistakes (mainly with Sparky)

• Cluster seem to be stable, please keep it that way

• New tools, CreateProc and sa_after_SA.inp for structure calculation and refinement and homology calculations

• Next: include water shell on refinement procedure

Notes: