Message boards : Number crunching : Number of steps per model
Author | Message |
---|---|
Knorr Send message Joined: 18 Feb 06 Posts: 21 Credit: 373,953 RAC: 0 |
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 |
Mats Petersson Send message Joined: 29 Sep 05 Posts: 225 Credit: 951,788 RAC: 0 |
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). -- Mats |
AlphaLaser Send message Joined: 19 Aug 06 Posts: 52 Credit: 3,327,939 RAC: 0 |
Full-atom relax is the stage which uses higher resolution, ab initio is the fast stage. |
Message boards :
Number crunching :
Number of steps per model
©2024 University of Washington
https://www.bakerlab.org