Re: [sdpd] TOPAS A

[Jon Wright <wright...@esrf.fr>]

>Outstanding, certainly. Every programmer says the same
>of his own program ;-). So, can you prove that it is
>even more outstanding than all these other outstanding
>programs ?-).
>
>  
>
Armel,

I've used Topas for a real indexing problem which was "difficult". It 
found a shortlist of "solutions" which have a very large volumes (80K to 
500K A^3) off of seven very dodgy peaks. Some collaborators appeared to 
be suitably impressed upon finding a cell they have seen for a 
microcrystal at the top of the shortlist, although the hope was to find 
a different crystal form. In this case Topas was outstanding. What works 
very well is that there is no need for manual setting of parameter 
limits - to get the "right" answer from most other programs you would 
have to fiddle around to force them into the right part of the parameter 
space. At least I imagine one could do that, I have yet to persevere and 
didn't at the time as I had no knowledge of the microcrystal results.

My personal opinion is that the indexing in Topas is currently as good 
as or better than any other program that I have used (mainly because I 
can sort the list of proposals by G.O.F, number of unindexed lines and 
volume). And no, I am not about to encourage "benchmarking" comparisons 
by supplying examples.

Jon


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