TensorView for Matlab is a tool to visualize chemical shift/shielding tensors in a molecular context. TensorView for Matlab can read arbitrary .pdb and .xyz files for molecular visualization. Any 3D tensor can be used for visualisation though the chemical shift/shielding tensor is used as an input in script.
TensorView for Matlab is licenced with creative commons CC BY. https://creativecommons.org/licenses/ Free to share and adapt. Give appropriate credits to authors:
Credits:
github.com/LeoSvenningsson/TensorViewforMatlab
mathworks.com/matlabcentral/fileexchange/55231-molecoule3d
onlinelibrary.wiley.com/doi/full/10.1002/mrc.4793
Version: 1.14
Authors: Dr. Leo Svenningsson (leo.svenningsson@fkem1.lu.se), Dr. André Ludwig (aludwig@alumni.ethz.ch), Prof. Leonard Mueller (leonard.mueller@ucr.edu)
TensorView for Matlab is a collaboration with works derrived from molecule3D.m (André Ludwig: mathworks.com/matlabcentral/fileexchange/55231-molecule3d) and TensorView (Prof. Leonard Mueller: https://onlinelibrary.wiley.com/doi/full/10.1002/mrc.4793 and https://sites.google.com/ucr.edu/Mueller/home/tensorview)
Versions for windows and mac reside in their respective folder which only requires the latest matab compiler. The Scource folder contains the matlab code, but also include a matlab script which can be run with matlab. As of now, there are more camera options for the script version using matlab, which is why it is included separately. Matlab2020 or the free "matlab2020 runtime" or later versions are required.
With the inclusion of .wrl support, a short tutorial for Blender is included below.
1: press file and import and choose the .wrl format.
2: Blender has a few defoult workspaces, select the Layout workspace from the top tab if not already selected.
3: select all objects either in the viewer or from the side panel.
4: click one additional time on one of the objects. in the bottom right, select the materials properties tab. Click on base color and select vertex colors. Now the color has been added to the selected object.
5: Click control+l and choose materials. This will link the materials between all of the selected objects.
6: press on the globes in the viewport top right corner to see the materials and shading in the viewport.
7: in the top left corner, select object and choose "shade smooth" to make it look pretty.
Nothing new here.
Tensorview for Matlab now supports .wrl export of the 3d model. The "Exportsurfwrl.m" script will export any surface figure. Try fig = figure; surf(X,Y,Z) for a surface defined by X, Y and Z. Exportsurfwrl(fig,filename,path). The .wrl format is best used in combination with "Blender" https://www.blender.org/. The .wrl format supports primitives, however this is not yet implemented, which means that the 3d files are larger than its most compressed form... for now.
Semicomplete conections lists can now be used. Updated the .pdb interpreter. New version should have better compatability with different .pdb files. Bugfix on atom names longer then one letter.
Tensoview now simplifies symmetric tensors in the Unique-x PAS form. Example: [1 2 2]. Unique-x ordering lack rotations within the tensor symmetry, therefore, only this system is solved nummerically with a least square method.
A few variable name changes within the code.
Fixed bug with some forms of atom labels.
Added atomic number read for .xyz
Updated contact information
Fixed bug with color slider
Tensoview now simplifies symmetric tensors in the Unique-z PAS form. Example: [2 2 1].
Recompiled for MacOS "Big Sur"