Model building, validation, and visualization

Minghao Chen

Published: 2023-10-17 DOI: 10.17504/protocols.io.j8nlkw77wl5r/v1

Abstract

Model building, validation, and visualization

Steps

Model building

1.

Generate a model by

[1] existing model in PDB

[2] creating a homology model by SWISS-MODEL

[3] creating a ab-initial model by AlphaFold

2.

Do the flexible model fitting by [ISOLDE]

Roughly fit the secodary structures into the map

3.

Do model fitting manually in [Coot] or automatically in [Phenix]

Repeat the model fitting until the coordinates fit the map resonably

Validation

4.

Validate the quality of the models by using the validation tools in Phenix and the online validation service provided by wwPDB (https://www.wwpdb.org/validation/validation-reports)

Make sure the statistics, particularly the Ramachandran plot, Rotamers, R.m.s. deviations and B-factors are resonable.

Visualization

5.

Visualize the models and maps by [ChimeraX]

Create figures by [Adobe Illustrator]

Create movies by [iMovie]

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