Collaborative Computational Project Number 14


For Single Crystal and Powder Diffraction
(Freely Available Crystallographic Software for Students and Academia)

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Hints on Navigating Through the CCP14 Website


Mainly because of the large scope of applications for single crystal and powder diffraction software; a way to think about how the CCP14 website is structured is to consider it as a large "Jeweller's Shop". However, unlike a Jeweller's Shop all the material is freely available for academic and student use.

You may or may not know what you are after exactly. Or only have a general idea of what your needs are. Given the wide scope of single crystal and powder diffraction; there are many options and possible pathways. The optimum pathway on choosing the most appropriate software to use could involve minor nuances in your research requirements.

First thing to Consider

If in any doubt, contact the CCP14 via Email ( and ask for hints or recommendations based on the crystallographic problems that you need to help solve using the appropriate software. Much of the additional and modified material placed on the CCP14 website is guided by queries and problems that are reported via E-mail.

If your query has extra complications not encountered before, the type of response you may get might include not only links to relevant resources but also advice on which internet newsgroup or mailing list could be worth while to use.

Browsing the Website

Looking around

If you are in a rush or uncertain about anything contacting the CCP14 can be the most time effective thing to do. If you have time to browse around, please consider that the CCP14 website has been added to in an organic fashion over time as new software and updated software has become available. Many of these packages have a very wide range of functionality that is still be developed and can be difficult to pigeon hole. The CCP14 project encourages a genetic diversity of software and methods so you may find a variety of software that has similar functionality; but may have specialist features beneficial in certain circumstances.

One recommendation is to try a variety of relevant programs to help generate your personal software toolset. Doing this as part of developing the computational and analytical resources of your laboratory can be very beneficial compared to just using the first software program that comes to hand. Many software programs with similar functionality can be complementary and enable cross validation of results.

The Graphical Site Map may help you find what you are after. It lists the main areas plus the most popular resources.

The Free Text Site Search: is now quite fast and can also be good for data-mining of complex queries. It has "Relevancy Scoring" plus if you know what you are after but cannot be bother browsing the menu systems - just enter it here. (e.g., WinGX)

Some Starting Points

Graphical Site Map may help you find what you are after

Free Text Site Search: The latest SWISHE search engine should be lightning fast to run. But then just scroll through the results.

Web based Tutorials: See before you try

Methods, Problems and Solutions: Pages guided by queries people have asked in the past

Mirrored Software and Websites: Saving time by using a CCP14 based mirror

Developer Resources: Freely Available Source Code, Compilers and related material

Mailing Lists and Newsgroups: Discussion Groups using the Internet

What's New: Will give you an indication of updates

If you have any queries or comments, please feel free to contact the CCP14