Feature Request: Localized Clashing Importance

Case number:699969-995977
Opened by:freethought78
Opened on:Saturday, September 21, 2013 - 19:49
Last modified:Saturday, September 28, 2013 - 12:08

Use-case scenario:

I want to wiggle my entire protein at once and allow for different areas within the protein to be constrained by different clashing importance. For example most of the protein is at a high CI while a small area of the protein is running at a very low CI, letting the low CI area slip while being pulled tight by the high CI area. This should give a very different result from either freezing sections of the protein while wiggling, or making a selection and wiggling at one CI and then wiggling the rest at another.

Suggested implementation:

Each segment of the protein has its own CI. The global CI can still be changed by altering all of the segment's CI uniformly and simultaneously. This would allow for any combination of CI the folder desires. It would be very useful for hand folding, and the ramification for recipes using localized CI could be huge.


Allowing for multiple coexisting CI rather than using current workarounds opens up possibilities that we don't currently have. It would mean that areas with separate CI can influence each other, and that scripts and/or folders could create a custom CI strategy without sacrificing the ability to use the existing methods involving global CI. I personally feel that using a mixed CI strategy would allow for higher scores for those people who learn to master the concept.

Thanks to those who have taken the time to read my post.
- Alex (freethought78)


(Sat, 09/21/2013 - 19:49  |  1 comment)

spmm's picture
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Joined: 08/05/2010
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You can perhaps approach this effect using the selection interface, select an area and then manipulate it as you wish, including CI values


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