2 replies [Last post]
Joined: 04/28/2015
Groups: Go Science

Good day to everyone, I want to create a new script based on the experimental atom model of 8 side rings
but I don’t have sufficient programming skills to apply brute force with 8 sides of freedom for each atom. Therefore, I ask you to create such a script based on an already prepared script.


1) all atoms are attached on one of the 8 sides
2) all searches are performed on the basis of 8 parties



Joined: 04/28/2015
Groups: Go Science
Here is an experimental model

Here is an experimental model of matter based on the model of the atom having 8 sides, each side magnetized to the other side. I will be interested in how many points will produce protein coagulation


Joined: 09/24/2012
Groups: Go Science
It's quite a chalenge

I wonder if the basic recipe would be bandsome instead (and/or before the idealize one).

Band to atom or rotamers commands could be used.

The available commands are:

band.Add(integer segmentOrigin, integer segmentXAxis, integer segmentYAxis, number rho, number theta, number phi, [integer atomIndexOrigin], [integer atomIndexXAxis], [integer atomIndexYAxis])

band.AddBetweenSegments (integer segmentIndex1, integer segmentIndex2, [integer atomIndex1], [integer atomIndex2])

band.AddToBandEndpoint (integer segmentIndex, integer bandIndex, [integer atomIndex])

The problem is combining these commands because there is no command to "turn" an atom using the first command.

Then, for rotamers, I don't know if the following commands actually work:

structure.TweakRotateinteger (segmentIndex, number angle)

structure.TweakShift (integer segmentIndex, boolean shiftDirection)

and this ones, but how to identify the right angles ?

rotamer.GetCount (integer segmentIndex)

rotamer.SetRotamer (integer segmentIndex, integer position)

Not sure there is a solution with current commands, but that's a nice scripting chalenge.


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, RosettaCommons