Aug 8 2008
Contents
 
Introduction
Overview - RECOMMENDED READING FOR NEW ICM USERS
File Menu
Graphics Move Tools
Display Tab
Light Tab
Labels Tab
PDB Search Tab
Meshes Tab
View Menu
Selections
Tables
Local DB
Sequences
Bioinfo Menu
Tools Menu - Xray
 Crystallographic Neigbor
 Crystallographic Cell
 Biomolecule Generator
 Get Electron Density Map
 Map's Original cell
 Contour Electron Density Map
 Convert Xray Density to Grid
Tools Menu - 3D Predict
Tools Menu - Analysis
Tools Menu - Superimpose
Homology and Modelling
Working with Chemistry Tools
Chemsitry Menu
Docking
Ligand Editor
Animations, Slides, & Documents
ActiveICM
Movie Making
Frequently Asked Questions
Tutorial - Graphical Display
Molecular Document
Tutorial - Working with PDB Protein Structures
Tutorial - Working with Sequence Alignments
Tutorial - Ligand Binding Pocket Analysis
Tutorial - Homology and Modeling Tools
Tutorial - Crystallographic Analysis Tools
Tutorial - Working with Chemical Tables
Tutorial - Working with the Molecular Editor
Tutorial - Chemical Searching
Tutorial - Docking and Virtual Ligand Screening
 
Index
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16.2 Crystallographic Cell
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TheoryThe crystal structure of a protein is often discussed in terms of its unit cell. The unit cell is a box containing one or more motifs, a spatial arrangement of atoms. The units cells are tiled in three-dimensional space to describe the crystal. The unit cell is given by its lattice parameters, the length of the cell edges and the angles between them, while the positions of the atoms inside the unit cell are described by the set of atomic positions measured from a lattice point.

To display the crystal cell of a PDB structure:

  • Read a PDB file into ICM. For instruction see the section entitled Finding a PDB Structure.
  • Select the whole object. You can do this by double clicking on the name of the structure in the ICM Workspace (a selection is highlighted blue in the ICM Workspace and green crosses in the graphical display} or you can use the right-click button and drag it over the whole structure in the graphical display.
  • Select the menu Tools/Xray/Crystallograhic Cell and a data entry box will be displayed.
  • Click OK

The crystallographic cell will be displayed as a box as shown below.


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