Tutorial: Ligand Fitting with Coot

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10 For the Adventurous

If you are feeling adventurous, you can run refmac: Calculate → Model/Fit/Refine → Run Refmac...

Choose an MTZ file for Refmac and use the file selector to choose the same MTZ file that we

used in the beginning.

Examine the resulting molecule. Are there any problems left to fix?

Stuart McNicholas: ccp4mg - York Structural Biology Laboratory ...

Coot: Model-building tools for Molecular Graphics

The Patterson Function Kevin Cowtan cowtan@ysbl.york.ac.uk

twinning, pseudo symmetry, order-disorder

Refinement of Macromolecular structures using REFMAC5

Using Molrep for fitting into the electron density

Simple REFMAC tutorials - York Structural Biology Laboratory

10 For the Adventurous If you are feeling adventurous, you can run refmac: Calculate → Model/Fit/Refine → Run Refmac... Choose an MTZ file for Refmac and use the file selector to choose the same MTZ file that we used in the beginning. Examine the resulting molecule. Are there any problems left to fix? 4

Page 1 and 2: 1 Introduction Tutorial: Ligand Fit
Page 3: 7 Problem Areas OK, now we have fit

Tutorial: Ligand Fitting with Coot

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