Scheint bei Benno wohl ein Problem beim Berechnen des RMSDs gegeben zu haben udn das ist offensichtlich schon anderen passiert.
Für den genauen Zusammenhang, schaut bitte hier:
http://bane.free-dc.org/forum/showthrea ... eadid=1857
Michael.
Zitat:
"That is exactly how I compared it actually (SwissPDB), good guess So yes, it takes me 2 minutes to check, although usually visual inspection is enough even since a 3.7A structure should look VERY similar to the native structure, both of which are viewable with Cn3D from the stats page.
Anyhow, it is indeed difficult, I have found, to code software and account for all the possible things that can go wrong when you account for faulty RAM, cosmic rays, overclocking, CPU bugs and so on. Thanks to users I have put in warning/error messages that catch many of these problems, such as the bzip2 decompression errors, or things like that that occur with bad RAM. Nevertheless, its not perfect. For example, besides the 3.7A structure, there were 2 0A structures uploaded in the 3 billion or so we've sampled so far of this protein. Again, this is because the routine which computes RMSD failed on two users' machines, once. Why this occurs is almost impossible to say. I have used the routine myself thousands or even millions of times, and never had a problem. But when you scale up to billions of times, one or two errors once in a while become probable, rather than impossible, it seems. The RMSD calculation is a complex matrix computation using what's called SVD. It has to take into account many rare special cases (like when certain matrix elements work out to be exactly zero, etc.) so it is quite possible that 1 in a billion times there is a case which fails.
IF it does not happen repeatedly to the same user, I would not worry too much about it as it is very easy to identify and fix."
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Howard Feldman