Recipe command for "Align Protein to Density"

Case number:845813-992656
Topic:Game: Tools
Opened by:jeff101
Status:Closed
Assigned:jflat06
Priority:5-Low
Type:Question
Opened on:Tuesday, May 15, 2012 - 02:37
Last modified:Wednesday, May 16, 2012 - 18:50

Is there a recipe or script command equivalent to "Align Protein to Density" within the "Electron Density" control panel?

(Tue, 05/15/2012 - 02:37  |  7 comments)


auntdeen's picture
User offline. Last seen 6 hours 18 min ago. Offline
Joined: 04/19/2009
Status: Open » Closed

No - some folding must still be done by hand.

Joined: 04/20/2012
Groups: Go Science
Status: Closed » Open

Foldit has recipe commands for many other things that can be activated manually in the GUI like rebuild, wiggle, and shake. Why not add a recipe command to do the "Align Protein to Density" function as well?

spmm's picture
User offline. Last seen 3 days 5 hours ago. Offline
Joined: 08/05/2010
Groups: Void Crushers

why do you need a recipe to click a button? Also most players like to evaluate the effect of alignment to density, a script is quite unable to evaluate the effect in any meaningful way.

Joined: 04/20/2012
Groups: Go Science

On puzzle #547, for example, I kept finding myself doing the same sequence of steps repeatedly, and one of these steps was to click the "Align Protein to Density" button. Being a programmer, when this kind of thing happens, I want to automate it. The way to automate it is to have a script command. I can still watch the script run and evaluate the results as it goes. I can stop the script whenever I see something interesting happen. I can incorporate scoring and distance measurements into the script and have them print to the Recipe Output, which also is automatically written by Foldit onto my computer's hard drive in a file called scriptlog.default.xml. I can also go do something else for a while and let the script run in my absence. If I am smart about my scripting, I can see when interesting things happen based on the Recipe Output. Scripts can even let you save structures while running. The trick is knowing which ones are important enough to save.

Don't you use scripts? You don't push buttons for everything you do in Foldit, do you?

Joined: 06/17/2010
Status: Open » Rejected

"Align Protein to Density" making WORSE score in many occasions and/or flips it totally.
It should be done ONLY by hand.

Joined: 04/20/2012
Groups: Go Science
Status: Rejected » Open

Yes, Rav, this button would often flip the protein in surprising ways. It seemed to be undoing my other optimizations, yet it was one of the constraints I wanted to incorporate into my optimizations. It would have been easier to satisfy the "Align Protein to Density" constraint if I could have incorporated it into an optimization script. Then I could do stuff like wiggle, align, shake, align, rebuild, align, repeatedly, eventually getting a structure more likely to satisfy all the constraints at once.

Joined: 05/09/2008
Groups: None
Status: Open » Closed
Assigned: Anonymous » jflat06
Priority: 3 » 5-Low

We need to improve the "Align Protein to Density" function before we implement it in lua.
Once it's working as intended (by only making the score better) then we can discuss giving you access to it from the scripts. Until then, please keep this feedback Closed.

Thanks.

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