Since this is a journal you may find starting from earlier articles helpful. I have covered a bit about the science, the FoldIT user interface, GUI recipes, and Script recipes. If you give me hints where I could be helpful I will focus in that general direction to my discretion. Currently I am going though the basic concepts of LUA script recipes. Once I get past intoductory LUA scripting I can start exploring the science of folding proteins by using LUA scripts.

Monday, November 15, 2010

It's been awhile. I feel the need to post something.

My early inclination to believe rigged wiggles was a bit off.  It turns out that when moving segments further apart their segments have less and less interaction so the score changes smoothly.  When one moves the segments back together the sidechains will interact more strongly so the backbone has to overcome this interaction so the scores jerk and may even go negative then more positive.

I know this isn't much. 

I have published two scripts, rebuild worst and minima finder. 

Use rebuild worst when you are tempted to use a rebuild routine and want to focus on the worst scoring segments.  If you convert your protein's secondary structure to loops it will have greater freedom.  Wiggle worst leaves your secondary structure as it is.

Don't use minima finder without understanding what it does.  It first tries to rebuld a segment then, if that fails, it wiggles it and its neighbors.  It doesn't find the best solution just the best it can find quickly. 

I thought foldit used pass by value.  It passes tables by reference.  This means one needs to build one's own copy function for tables.  Rebuild Worst has the copy function in it.  Since Foldit doesn't implement foreeach I can't create a generalized routine that works with string indexes.

Rebuild Worst aslo has a bubble sort  routine in it that will sort a table of tables on any column.  I read from the end towards the beginning to gets ascending scores from worst to best.

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