On Wed, Nov 11, 2015 at 5:37 AM, Angel Herráez <angel.herr...@uah.es> wrote:
> Dear Jmol experts, > > You'd know I've never managed to grasp the quaternion math in JmolScript, I > am hoping I can solve this problem without it --or with help from some of > you. > > 1. I have two pdb files of (partially) the same protein, that I need to > align. > This I can do using the "compare" command and a subset of the atoms in > each model. Also, the compare() function allows me to calculate and store > the rotation+translation needed for the alignment, in a 4x4 rotation > matrix. > Then I can reproduce the alignment using "rotate selected @~myRot" > > 2. I have positioned two points in the original coordinate system --that > let me > "draw" a line and also define a custom axis > > 3. I need to calculate the new coordinates of those 2 points after applying > to > them the same rotation matrix than I am applying to the model for > alignment, > i.e I need something that would do "rotate @myPoint @~myRot" which of > course is not valid syntax > > I've tried to calculate the product > point * matrix > That should be myRot * myPoint not myPoint * myRot That latter form would imply we want the transpose of myRot. > but the result (as checked using print) is wildly off the target > > > Any hints? Thanks > > > > > ------------------------------------------------------------------------------ > _______________________________________________ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-users > -- Robert M. Hanson Larson-Anderson Professor of Chemistry Chair, Department of Chemistry St. Olaf College Northfield, MN http://www.stolaf.edu/people/hansonr If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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