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Related Concept Videos

X-ray Crystallography02:18

X-ray Crystallography

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The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
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X-ray Diffraction of Biological Samples01:10

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X-ray diffraction or XRD is an analytical tool that utilizes X-rays to study ordered structures such as crystalline organic and inorganic samples, polycrystalline materials, proteins, carbohydrates, and drugs.
According to Bragg's law, when X-rays strike the sample positioned on a stage, the rays are  scattered by the electron clouds around the sample atoms. The  X-ray diffraction or scattering is caused by constructive interference of the X-ray waves that reflect off the internal...
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The CCP4 suite: integrative software for macromolecular crystallography.

Jon Agirre1, Mihaela Atanasova1, Haroldas Bagdonas1

  • 1York Structural Biology Laboratory, Department of Chemistry, University of York, York YO10 5DD, United Kingdom.

Acta Crystallographica. Section D, Structural Biology
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Summary

The Collaborative Computational Project No. 4 (CCP4) offers updated software for macromolecular crystallography structure determination. This article details recent advancements and future directions in CCP4 software, aiding researchers globally.

Keywords:
CCP4Collaborative Computational Project No. 4crystallography softwaremacromolecular crystallography

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Area of Science:

  • Structural biology
  • Computational chemistry
  • Biophysics

Background:

  • The Collaborative Computational Project No. 4 (CCP4) is a key international effort.
  • CCP4 develops and distributes software for macromolecular crystallography.
  • The CCP4 suite integrates various programs, libraries, and interfaces.

Purpose of the Study:

  • To provide a general literature citation for using CCP4 software in structure determination.
  • To guide readers through recent transformations and new features in the CCP4 suite.
  • To outline future developments and highlight individual programs within the suite.

Main Methods:

  • The CCP4 suite is a multiplatform collection of programs.
  • It features familiar execution routines, common libraries, and graphical interfaces.
  • This article serves as a general overview and reference.

Main Results:

  • The CCP4 suite has undergone significant changes, including new infrastructure.
  • New programs and graphical interfaces have been introduced.
  • The article provides an overview of these transformations.

Conclusions:

  • This article serves as a comprehensive reference for CCP4 software users.
  • It highlights recent advancements and future prospects in macromolecular crystallography.
  • It aims to support crystallographers worldwide with the latest CCP4 information.