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 but the result (as checked using print) is wildly off the target Any hints? Thanks ------------------------------------------------------------------------------ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
