Clemens Vonrhein schrieb: ...
A nice task would be to compare different integration/scaling packages at various stages: for finding the sites e.g. in SHELXD and separately (using known sites) for giving best phases e.g. in SHARP. there could be differences.
Yes, maybe it is finally time to get past the "rumour" stage of software comparison. The only way I can think of is to start with a standard set of data that cover the range of typical experimental situations.
The "Quality Control" article in XDSwiki ( http://strucbio.biologie.uni-konstanz.de/xdswiki/index.php/Quality_Control ) is meant to enable users and developers to do exactly what Clemens proposes.
Users/developers can download the datasets that this article talks about, and run them through their favourite data reduction program(s), and report the results in new articles linked to the "Quality Control" one.
But one word of warning: comparisons of complex pieces of software are not entirely straightforward; e.g. different people may obtain different results with the same software package, and different versions of the same software may behave differently. So this is a never-ending project. Nevertheless I do believe that one can learn a lot about using software in the right way, for a given project, and generalize from that.
best, Kay -- Kay Diederichs http://strucbio.biologie.uni-konstanz.de email: [EMAIL PROTECTED] Tel +49 7531 88 4049 Fax 3183 Fachbereich Biologie, Universität Konstanz, Box M647, D-78457 Konstanz This e-mail is digitally signed. If your e-mail client does not have the necessary capabilites, please ignore the attached signature "smime.p7s".
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