1. Progress Report in REFMAC

2. New developments Bug fixes
f’ and f’’: Either given by user or calculated in refmac (a la crossec)
SAD when F+ and F- are available (Pavol’s work)
External restraints
Simple omit maps
And few others

3. Twin refinement Implemented Tested Reading HKL5 Yes No
Detection of twin operators Yes Yes
Reorganisation of data Yes Yes
Scaling with twin fraction Yes Yes
Gradients and secder Yes No
Map coefficients Yes Yes/No
Changing of space groups No No

4. Jligand: New ligand design interface

6. Jligand: release plans
Beta release after Easter
Communication of two Pauls: Jligand and coot
Graph matching to sort out atom naming convention (Euegene’s ssm)
Search for similar structures
Generalise atom types with addition of some potential coordination for metals
Add Fei’s global optimisation
Add some other energy minimisers

7. Future (these will be done after twin refinement)
Release of SAD and SIRAS (that is Pavol and Raj’s work)
Testing and releasing restraints to known structure
Flexible NCS (local similarities)
Automatic definition of NCS (accounting for insertions and deletions)
Implicit normal modes (only limited tests have been done)
Resolution extensions and map improvement using resampling and general filtering techniques
Complete omit map
Dealing with unmerged data