Tutorials

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Example Scripts
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Tutorials
The tutorials are suitable for individual use or class teaching.
Coot script for Normal Mode Analysis - Perturbations (NMAXYZ)
To add a button to Coot to convert all loaded molecules to CA representation (C-alphas/backbone in the Display Manager) put the following script (called e.g. all-to-ca.py) in your .coot-preferences directory. Jiffy courtesy of Paul Emsley.
 def all_molecules_to_CA():
   for imol in model_molecule_list():
       graphics_to_ca_representation(imol)
 coot_toolbar_button("CA", "all_molecules_to_CA()", icon_name="6-c.svg")
 coot_toolbar_button("pre-CA", "set_default_representation_type(4)",icon_name="5-c.svg")


Data
The coordinate (pdb), sequence (fasta) and reflection (mtz) files required to run the MR tutorials are distributed with Phaser.
Download.png Data for Molecular Replacement Examples and Tutorials
Download.png Data for Experimental Phasing Examples and Tutorials
Download.png Data for SCEDS Examples and Tutorials
References
The crystal structure of a hetero-dimer of beta-lactamase (BETA) and beta-lactamase inhibitor protein (BLIP), both with molecular replacement models from crystal structures of the individual BETA and BLIP components. We thank Mike James and Natalie Strynadka for the diffraction data. Reference: Strynadka, N.C.J., Jensen, S.E., Alzari, P.M. & James. M.N.G. (1996) Nat. Struct. Biol. 3 290-297.
The crystal structure of insulin phased on intrinsic sulphurs. We thank Paul Adams for the diffraction data. Reference: Adams (2001) Acta Cryst D57. 990-995.