You are here

Scripts and/or strategies for saturation mutagenesis simulations?

2 posts / 0 new
Last post
Scripts and/or strategies for saturation mutagenesis simulations?
#1

Just wanted to confirm there is no semi-official script or protocol for DMS using Rosetta and ddg cartesian? 

Seems like an easy enough thing to script using existing methods and protocols....but ideally, I would like a strategy that avoided generating 19 WT models per-site, per-iteration (since just one set would suffice for all DDGs).

That would same me a lot of comput time. For a 500aa protein with 10 iterations per DDG estimate, that would save me from building (18x500x10=90,000  superfulous models.

Does anyone have a suggestions (or a script) that can do this?

Category: 
Post Situation: 
Tue, 2024-04-16 18:43
drinker615

We're updating the site, and as part of that we're moving the forums to Github Discussions.

If you still have questions or are still having issues, please feel free to open up a thread over there.

Thu, 2024-06-20 13:39
rmoretti