Literature DB >> 28901632

Forty years of collaborative computational crystallography.

Jon Agirre1, Eleanor Dodson1.   

Abstract

A brief overview is provided of the history of collaborative computational crystallography, with an emphasis on the Collaborative Computational Project No. 4. The key steps in its development are outlined, with consideration also given to the underlying reasons which contributed, and ultimately led to, the unprecedented success of this venture.
© 2017 The Protein Society.

Keywords:  C++; Python; computational crystallography; fortran

Mesh:

Year:  2017        PMID: 28901632      PMCID: PMC5734308          DOI: 10.1002/pro.3298

Source DB:  PubMed          Journal:  Protein Sci        ISSN: 0961-8368            Impact factor:   6.725


  14 in total

1.  Privateer: software for the conformational validation of carbohydrate structures.

Authors:  Jon Agirre; Javier Iglesias-Fernández; Carme Rovira; Gideon J Davies; Keith S Wilson; Kevin D Cowtan
Journal:  Nat Struct Mol Biol       Date:  2015-11       Impact factor: 15.369

2.  Diffraction methods for biological macromolecules. Interactive computer graphics: FRODO.

Authors:  T A Jones
Journal:  Methods Enzymol       Date:  1985       Impact factor: 1.600

3.  Features and development of Coot.

Authors:  P Emsley; B Lohkamp; W G Scott; K Cowtan
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2010-03-24

4.  PHENIX: a comprehensive Python-based system for macromolecular structure solution.

Authors:  Paul D Adams; Pavel V Afonine; Gábor Bunkóczi; Vincent B Chen; Ian W Davis; Nathaniel Echols; Jeffrey J Headd; Li-Wei Hung; Gary J Kapral; Ralf W Grosse-Kunstleve; Airlie J McCoy; Nigel W Moriarty; Robert Oeffner; Randy J Read; David C Richardson; Jane S Richardson; Thomas C Terwilliger; Peter H Zwart
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2010-01-22

5.  A graphical user interface to the CCP4 program suite.

Authors:  Elizabeth Potterton; Peter Briggs; Maria Turkenburg; Eleanor Dodson
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2003-06-27

6.  The Buccaneer software for automated model building. 1. Tracing protein chains.

Authors:  Kevin Cowtan
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2006-08-19

7.  How good are my data and what is the resolution?

Authors:  Philip R Evans; Garib N Murshudov
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2013-06-13

8.  Overview of the CCP4 suite and current developments.

Authors:  Martyn D Winn; Charles C Ballard; Kevin D Cowtan; Eleanor J Dodson; Paul Emsley; Phil R Evans; Ronan M Keegan; Eugene B Krissinel; Andrew G W Leslie; Airlie McCoy; Stuart J McNicholas; Garib N Murshudov; Navraj S Pannu; Elizabeth A Potterton; Harold R Powell; Randy J Read; Alexei Vagin; Keith S Wilson
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2011-03-18

9.  The worldwide Protein Data Bank (wwPDB): ensuring a single, uniform archive of PDB data.

Authors:  Helen Berman; Kim Henrick; Haruki Nakamura; John L Markley
Journal:  Nucleic Acids Res       Date:  2006-11-16       Impact factor: 16.971

10.  Automatic protein structure solution from weak X-ray data.

Authors:  Pavol Skubák; Navraj S Pannu
Journal:  Nat Commun       Date:  2013       Impact factor: 14.919

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