Number of steps per model

Message boards : Number crunching : Number of steps per model

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Knorr

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Message 26123 - Posted: 5 Sep 2006, 19:11:58 UTC
Last modified: 5 Sep 2006, 19:15:11 UTC

I came to wonder...

What makes Rosetta finish a model or a particular fase of a model?

I've noticed that there can be quite a big differens in how many steps of ab initio/relax search there's conducted.

- Knorr
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Mats Petersson

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Message 26247 - Posted: 7 Sep 2006, 12:05:31 UTC

The method used in Rosetta is something called Monte-Carlo method, which is to basicly do things "at random". At each step (or a set of a few steps), there's a decision to decide whether this particular model is "going somewhere", and based on a random number and the likelyhood of it going in the right direction, it will either terminate here and now, or continue going.

There's also different methods within the Rosetta application (ab initio and relax being two of those), which have different accuracy and computing time (ab initio is more precise but takes more time to calculate each step, IIRC).

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Mats
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AlphaLaser

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Message 26296 - Posted: 7 Sep 2006, 20:01:50 UTC - in response to Message 26247.  
Last modified: 7 Sep 2006, 20:02:16 UTC


There's also different methods within the Rosetta application (ab initio and relax being two of those), which have different accuracy and computing time (ab initio is more precise but takes more time to calculate each step, IIRC).


Full-atom relax is the stage which uses higher resolution, ab initio is the fast stage.

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Message boards : Number crunching : Number of steps per model



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