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Recipe: Optimizer v0.5
Created by cjddig 60 138
4.77778
Your rating: None Average: 4.8 (9 votes)

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Name: Optimizer v0.5
ID: 104481
Created on: Tue, 02/16/2021 - 23:44
Updated on: Wed, 02/17/2021 - 07:44
Description:

Select 3(first)/5(second) residues, rebuild, remix, local wiggle, cut/idealize, local wiggle, and global wiggle. My first recipe, so it may have many bug. Need feedback. Only useful for some design puzzles that have few objectives and allow Rebuild tool.



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Joined: 10/10/2015
Groups: Team China
I haven't encountered crashes

I haven't encountered crashes yet but it is probably best for early or mid-game, I'm guessing.

Joined: 11/16/2015
Groups: Go Science
Suggestions

Hey cjddig, just a quick couple of suggestions I have after running this for the first time.

1) If you're going to change the wiggle power, give the user the option of what to change it to. I was working on low wiggle power and was caught off guard when the script changed it to high without warning.

2) Also have an option for the user to select whether or not they want to work with their current pose or credit best. Due to number 1 my credit best pose was not what I wanted to work with, so even after deleting the wiggle power code and re-running, I ended up working with the incorrect pose again.

3) I'd recommend saving the original pose in one slot and the best scoring pose in a different slot. Then never overwrite the original pose's slot, I may want to go back to compare my original pose to the ending pose.

4) Add some dialog options for wiggle iterations.

5) More of a personal preference but I would take a look at breaking your code up into smaller functions. Refactor out distinct blocks of code that do 1 thing. For example, the dialog or when you compare the score or when you're printing, those could be a separate functions. This also makes it easier to read and understand your code.

Cheers,
TurtleByte

cjddig's picture
User offline. Last seen 1 day 5 hours ago. Offline
Joined: 01/14/2018
Groups: Gargleblasters
Thanks for the suggestions!

I'm currently making v0.7, and I'll apply your suggestions. Thanks again for the suggestions!

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Developed by: UW Center for Game Science, UW Institute for Protein Design, Northeastern University, Vanderbilt University Meiler Lab, UC Davis
Supported by: DARPA, NSF, NIH, HHMI, Amazon, Microsoft, Adobe, Boehringer Ingelheim, RosettaCommons