Version 5.3 From SMILE string to dictionary (LIBCHECK): Now coot uses it Segment id is now used Automatic adjustment for weights Improved bond order extraction.

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Presentation transcript:

REFMAC Garib N Murshudov, Alexei A Vagin, Andrey Lebedev James Foadi, Fei Long

Version 5.3 From SMILE string to dictionary (LIBCHECK): Now coot uses it Segment id is now used Automatic adjustment for weights Improved bond order extraction from coordinates (more chemical assumptions) External restraints Simple xml files for communication

For version 6.0 Auto twin refinement Occupancy refinement Restraints to external similar molecules Restraints fro secondary structures? Better NCS restraints (local similarity) And some other things

Beyond the next release QM optimisation of ligands QM optimised templates Bootstrap for bias removal and resolution extension Resolution extension for map calculations And many other things

Low resolution B value Unmerged