recipe feature request

Started by MellyLam

MellyLam Lv 1

Hello,

It would really be helpful (to me at least) in the recipe writing to be able to specify segments by index for freezing as well as to be able to set a local wiggle for a few specified segments without it being followed automatically by others. (Ex.: Freeze segments 3 and 7, local wiggle segments 4-6.) This would allow writing recipes that actually walk the backbone as well as recipes that do local wiggles back and forth across the protein, which both still have to be done by hand (to my knowledge), but could easily be automated. I'm not sure if this has been mentioned yet or not–sorry if it is repetitious. Thanks for your consideration.

Melly

steveB Lv 1

Melly - the best you can do at the moment is……

Freeze [All segments]
Unfreeze [Segments by stride every [100] segment starting at [Index[3]]]
Unfreeze [Segments by stride every [100] segment starting at [Index[4]]]
Local Wiggle Sequence[Segments by stride every [100] segments starting at [index[3]]] until stopped
Unfreeze [All segments]

Freeze [All segments]
Unfreeze [Segments by stride every [100] segment starting at [Index[4]]]
Unfreeze [Segments by stride every [100] segment starting at [Index[5]]]
Local Wiggle Sequence[Segments by stride every [100] segments starting at [index[4]]] until stopped
Unfreeze [All segments]

etc

Its close to what you want, but not perfect.If you change the "until stopped" to "25 iterations", then you can happily go have coffee whilst it works.

But I agree with your post, it would be good to do it properly.

aloofmonkey Lv 1

Melly:
Thanks for the suggestion. It seems like it could be pretty helpful. We're currenlty working on getting the game running bug-free. When we start incorporating additional features, we'll definitely take this into account. Also, steveB's idea seems to be closest I can think of to what you describe.

steveB:
Thanks for the comment.

MellyLam Lv 1

Thanks for the replies SteveB and aloofmonkey! That is a good method, SteveB, and I will have to use it a bit. Unfortunately the only down side is that it only works for proteins of 100 or fewer residues, and many that we see are more than 100. I do understand prioritizing bugs, and hope you guys aren't too bogged down with them :)