WBarme1234 Lv 1
STEW means S: Shake, T: Wiggle-Backbone, E: Wiggle-Sidechain and W: Wiggle backbone and sidechain
By now we had to define integer numbers of rounds for this functions, which gave us a bad control overall.
For speeding up (reducing calculation times) our group suggests to be able also to set a variable time [h:mm:ss:ms].
As in manual hand folding - we can end STEW anytime and don't have to wait to finish the targeted xx-number of rounds.
This can reduce the recipie processing time significantly. We should give this a try!
In the old-way: any_wiggle_all(25[rounds]),
Wiggle for 15.450 Seconds in add.-way: any_wiggle_all(00:00:15:450[time hh:mm:ss:ms]).
In our recipies we then adapt the time length accordingly to protein length or to any other conditions as needed or any autoadaptation.