Tweak constraints

Case number:845813-783315
Topic:Game: Tools
Opened by:xiando
Opened on:Tuesday, December 30, 2008 - 02:12
Last modified:Friday, January 6, 2012 - 00:54

I have been trying to use "tweak" for some time now, and although I *think I understand how the rotate and "straighten" aspects of Tweak are supposed to work, they do not seem to do so.

More often than not, when I attempt to straighten a sheet, it does not actually straighten, and twists and other "warpages" are left intact when it cease to function. The same goes for helices. They do not roll up into an optimized helix, instead they stop wherever, with little rhyme or reason to how they end up when the function stops working. Same goes for rotate as well...

I presume that some constraint is being applied, but I have no idea what the boundary is that is stopping the function from performing its intended task, ie, straightening a sheet or helix, and/or rotating a sheet or helix.

Can one of the developers please elaborate on exactly what the limitations are that impose "stop-work" to the functions?

Finally, if it is a residue(s) that is(are) rotating beyond it's(their) natural ability that causes the function to cease operation, it would be very good to have some clear indicator as to which residue(s) are the "hold up" so they can be address in an efficient and time conscious manner. Would you care to comment on the rational for not "flagging" the residues that cause the cessation?

thank you,

(Tue, 12/30/2008 - 02:12  |  1 comment)

Joined: 06/17/2010
Topic: Game: Other » Game: Tools
Type: Question » Suggestion

Tweak tool working, but 1st segment of tweaked structure is a "hook", rest of it need to be placed correctly to it by tool.
In some cases it is not desirable. We need to chose what segment is "properly" located and we want to align structure to that segment.
In most cases I want to "fix" ends of structures, where middle section is ok, or fix start of structure (lower segment numbers) where end is nice. Current behavior forcing me to use rebuild.


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