Collaborative Computational Projects

Hutson J M and Green S 1994 MOLSCAT computer code, version 14, distributed by Collaborative Computational Project No 6 of the Engineering and Physical Sciences Research Council (UK)... 

Collaborative Computing Project, Number 4, Acta Cryst. 1994, D50, 760-763. 

The Collaborative Computational Project Number 4 in Protein Crystallography was set up in 1979 to support collaboration between researchers working on such software in the UK and to assemble a comprehensive collection of software to satisfy the computational requirements of the relevant UK groups. The results of this effort gave rise to the CCP4 program suite [45], which is now distributed to academic and commercial users worldwide (see http //www.ccp4.ac.uk). 

Collaborative computational project, number 4. The CCP4 Suite programs for protein crystallography. Acta Cryst 1994 D50 760-3. 

Check for possible twinning read carefully the output of TRUNCATE in CCP4 (Collaborative Computational Project, 1994) or submit your data to the scrutiny of Todd Yeates web site (http //www.doe-mbi.ucla.edu/Services/Twinning). 

Amo Re (Navaza, 2001), and other programs such as MolRep (Vagin and Teplyakov, 1997,2000) and, in fact, most MR programs handle this quite effectively in an expert fashion. MolRep is a very versatile program that has many different options implemented and is part of CCP4 (Collaborative Computational Project, 1994). Obviously, if one wants to try different possible models to increase the chance to find the correct solution, this again makes the search more computer intensive and the best way to deal with this is to follow a given, sensible protocol (see below). 

Collaborative Computational Project (1994) The CCP4 suite programs for protein crystallography. Actu Crystallogr. D 50, 760-763. 

CCP4 (1979). TheSERC (UK) Collaborative Computing Project No. 4, a Suite of Programs for Protein Crystallography. Daresbury Laboratory, Warrington, WA4 4AD, UK. 

G. G. Balint-Kurti and M. M. Law, Photodissociation Dynamics, Collaborative Computational Project 6 (CCP6) (Darsebury Laboratory, Daresbury, Warrington, WA4 4AD, U.K., 1994). 

Much use of the CRAY-1 computer has been made by the S.E.R.C s Collaborative Computational Projects (C.C.P.s). These projects aim to co-ordinate the development of sophisticated software in various fields of research within the U.K. The first of these projects is concerned with electron correlation effects in molecules, and is of particular interest to Quantum Chemists. 

J.M. Hutson, BOUND, computer code, version 5 (1993), distributed by collaborative computational project no. 6 of the science and engineering. Research Council, UK. 

CCP4 Collaborative Computational Project number 4 1994 Acta Cryst D50 760n763. 

Althorpe, S.C., Soldan, P. and Balint-Kurti, G.G. (eds.) (2001) Time-Dependent Quantum. Dynamics. GCP6 Collaborative Computational Project on Heavy Particle Dynamics, Darcsbury Laboratory, Darcsbury. 

The most comprehensive collections of various crystallographic software products are found at the International Union of Crystallography Web site at http //www.iucr.org and at the Collaborative Computational Project No. 14 for Single Crystal and Powder Diffraction Web site at http //www.ccpl4.ac.uk. 

There are many different stand-alone software programs available through the International Union of Crystallography or Collaborative Computational Project No. Web sites in addition to various... 

CCP14 (Collaborative Computational Project Number 14 for Single Crystal and Powder Diffraction)... 

CCP14 (Collaborative Computational Project Number 14 for Single Crystal and Powder Diffraction) http //www.ccpl4.ac.uk/ cctbx-sgtbx Explore symmetry http //cci.lbl.gov/cctbx/explore symmetry. html CDS (EPSRC funded Chemical Database Service) http //cds.dl.ac.uk/... 

Collaborative Computational Project N4 (1994) Acta Crystallogr D Biol Crystallogr 50 760... 

In fact, the idea was taken up by the Engineering Board too, in the formation of what were eventually called Special Interest Groups, but it is the positive response of the Science Board that is of interest here and that led through the first meeting house project to the development of the Collaborative Computational Projects (CCP ). 

J. M. Hutson, BOUND computer code, distributed via Collaborative Computational Project No. 6 of the UK Science and Engineering Research Council, on Heavy Particle Dynamics. 

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