Garib Murshudov YSBL, Chemistry Department, University of York

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Presentation transcript:

Garib Murshudov YSBL, Chemistry Department, University of York REFMAC Garib Murshudov YSBL, Chemistry Department, University of York

REFMAC Some new things Few bug fixes External restraints sdf mol, sybil mol, smile (it was ages ago) auto weight that gives potential matrix weight removal part of the model from refinement (potential for omit refinement) segments ID (It is a good thing)

Refmac New things Intensities Twinning (I hoped it will be ready now. Delay for one or two weeks) SAD refinement (It is part of general data organisation) Flexible NCS Restraints to similar structures Any linear constraints (e.g. occupancy) TLS restraints Hidden normal mode refinement

Dictionary It has been improved We have QM scripts and procedures. Any given structure can be optimised (all questions to Fei).