Resore best and structures

Case number:699969-993646
Topic:General
Opened by:steveB
Status:Open
Type:Suggestion
Opened on:Wednesday, October 3, 2012 - 15:37
Last modified:Thursday, October 4, 2012 - 20:04

Could you add the following small feature, which would be really helpful ?

If you reload the secondary structures (Ctrl 9) when the protein is at the best score, could the programme be made to remember these new structures as being the new "best score".

Why ?

At present the following sequence (original interface), Ctrl 9 / A , will result in no change to the protein structures being displayed, and it is used a lot after running many recipes.

(Wed, 10/03/2012 - 15:37  |  7 comments)


Joined: 09/19/2011
Groups: Beta Folders

I usually wiggle the sidechains to gain at least .001 point. You then have a new best. Or, you can simply save it.

steveB's picture
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That's what I do too smilingone, that's just why I am asking for the feature request, because it drives me crazy !

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I do wish recipe writers would remember to restore structures if their recipes turn the protein into all loops. DRW recipes come to mind.

I would think that restoring the structures, then saving that status as the Best in the recipe would work.

brow42's picture
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Many scripts, such as Rav3n's DRW and Compress, do restore structure at the end of the script. However, the ability to restore structure when you *cancel* is a lua 2 capability, and a little obscure in the implementation. You'll see this more and more as the scripts get re-written in lua 2, such as in TvdL Enhance DRW or Tlaloc 4.xx scripts.

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@ brow42

You're correct - it is more of a problem when a long-running recipe that is no longer making points is cancelled.

Can someone post a code snippet that can be included to restore the structures and save as "Best" ?

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I was thinking last night that this should go onto the wiki. I think there should be Lua 2 page to collect Lua 2 information, which can be hard to find (only the list of functions is easy to find for me). Until then, check out this comment: http://fold.it/portal/node/991496#comment-16717 .

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Write-up on Lua error handling and catching cancel at http://foldit.wikia.com/wiki/Lua_Error_Handling . This is for Lua 2, you'll have to convert Lua 1 using rav's Lua 1 to 2 substitutions http://fold.it/portal/recipe/31012 . I did this for Compress for Symmetry, just had to rename a variable called structure, then I added the cancel code to remove bands on cancel.

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