Scripting in NewChapter

Case number:845813-996731
Topic:Game: Tools
Opened by:AsDawnBreaks
Opened on:Thursday, January 23, 2014 - 21:47
Last modified:Tuesday, May 27, 2014 - 20:56

I've decided to just create a feedback about this, as NewChapter is going live in 4 days, and these are major issues.

See my comments here:

What would be the ETA to add either the matrix caching or wiggle score gain? This is critical to new scripts.

Also, what will be done about existing scripts? They're virtually useless unless wiggle is re-done as by-gain. There are currently 850 public scripts, and I'm sure many group shared ones, and it would be very difficult to convert them all (and useless until we get a matrix/wiggle till point gain). Will we have to do this?

These are pretty important topics, as scripts are now heavily used, and leaving them in a bugged/broken state would either mean that efficiency would go down or everyone reverts to hand folding-reducing the ability of players either way.

Until a wiggle fix, current scripts could do something like this this (using semi-pseudocode):

score = getscore()
wiggleRun = True
wiggleIter = 2

while wiggleRun = true
newscore = getscore()

if (newscore > score + [Some number])
wiggleRun = True
wiggleIter = wiggleIter + [Some other number]

This would work, however resuming back to the last state would mean the possibility, and high probability of wiggle taking many times as long as it would otherwise (depending on your settings even 50x+). Obviously it could be changed by changing [Some Number],[Some other number], and the default for wiggleIter, but who knows what the best results would be for that.... That may even change depending on puzzle size, aas, conditions/filters, current state, etc.

Thanks to the devs for your time. :)

(Thu, 01/23/2014 - 21:47  |  12 comments)

Joined: 09/21/2011
Groups: Void Crushers

Wiggle on Low precision has solved the wiggle issue. No problem anymore with running scripts on Low.

Joined: 04/15/2012
Groups: Beta Folders

It should probably be announced that in order for scripts not to break (unless wiggle is changed and the script writer takes advantage of that) they will have to be on low.

Joined: 09/21/2011
Groups: Void Crushers

It might even be that medium will work, high is not good for my DRW.

Joined: 09/24/2012
Groups: Go Science


Concretely, does all of this NewChapter discussions mean that your (wiggle function of) TvdL enhanced DRW 2.3.0 would do better in NewChapter than your TvdL enhanced DRW 2.3.1 version? Or did I misunderstood the issue?


Joined: 04/15/2012
Groups: Beta Folders

So seems like things will work for the present... ETA on the wiggle improvements for scripting?

Joined: 11/10/2007
Groups: Window Group

We'll be looking in to what should be done with the wiggle scripting API next, hopefully having something next week.

Joined: 04/15/2012
Groups: Beta Folders

Great! Thank you.

Susume's picture
User offline. Last seen 19 hours 53 min ago. Offline
Joined: 10/02/2011

Tested: How many wiggle iterations does it take newchapter to reach a stable score?

Started from a stable score in both TR663 and Staph Aureus ED puzzles (each about 150 segs). Generated ~300 different rebuilds on each puzzle as test poses (610 poses in all), shook, then wiggled for various numbers of iterations on each of the poses. Results attached.

If a script is to wiggle all the way to a stable score, on medium, it should do more than 20 iterations.
If a script is to wiggle all the way to a stable score, on low, it should do 10 or more iterations.

Open question: Is it really necessary to wiggle all the way to a stable score in order to pick the best rebuild poses? I hope to have some data on that soon.

Joined: 04/11/2013

Here is an update on wiggle iterations.
In a test aimed at finding an equivalent of the old 2 wiggle iters, and with repeated results on puzzle 847, I have found that, in a simple script, using wiggle, mutate and wiggle again I have found the following.
Starting score 10040.280
Low Wiggle Power, 25 iters 11288,457; 14 iters 11297.892 once and 11288,457 repeatedly; 12 iters 11288,457; 11 iters 11288,457; 10 iters 11422,342 11297.892 11377,609
Possible conclusion (10 iters always wins so I put my money there)
High Wiggle power, too much detail but the results show that you can put your money on 14 iters.
To top it all...a 10 iter wiggle on low, mutate and a 14 iter wiggle on high is magical.
These tests wer done using only global GUI operations.
Good luck scripters.
I recommend scripts have a dialogue box asking if the players are using high or low wiggle power and perhaps an extra option for a slider.
I trust this info is useful and makes for happier folding for all.

Joined: 09/24/2012
Groups: Go Science
Type: DevPrev Issue » Suggestion

from the chat: "we will likely add scripting support for wiggle power, yes"

I wonder: is there a script command now for wiggle power? This would be useful.

spmm's picture
User offline. Last seen 18 weeks 1 day ago. Offline
Joined: 08/05/2010
Groups: Void Crushers

I don't really fancy having to check each and every updated script to see if the author has thoughtfully decided to include a switch to medium or high power wiggle in the script.

Joined: 04/15/2012
Groups: Beta Folders

I actually had no thought of wiggle power, I believe it may have been brought up in another thread. My thought was on the matrix issue, which still seems to be in the waiting bin.


Developed by: UW Center for Game Science, UW Institute for Protein Design, Northeastern University, Vanderbilt University Meiler Lab, UC Davis
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