TensorView for MATLAB: Visualizing tensors with Euler angle decoding.

TensorView for MATLAB: Visualizing tensors with Euler angle decoding.
复制标题

DOI:
10.1016/j.ssnmr.2022.101849
复制
发表时间:
2023-02
影响因子:
3.2
通讯作者:
Mueller, Leonard J.
Mueller, Leonard J.
中科院分区:
化学3区
文献类型:
--
作者:
Svenningsson, Leo;Mueller, Leonard J.

文献摘要

参考文献

相似文献

TensorView for matlab是一个基于图形用户界面的可视化工具,用于将二阶笛卡尔张量描述为三维分子模型上的表面。支持椭球和椭圆形张量显示格式,该软件允许通过视觉反馈从常见的旋转方案(主动、被动、ZXZ和ZYZ约定)轻松转换Euler角度。此外,该软件还显示了单个张量在分子框架中放置的所有四个取向等价的欧拉角解决方案,并可以报告两个张量的相对取向,以及与它们相关的所有16个取向等价的欧拉角集合。推导了显著关系,并通过几个实例进行了说明。TensorView for matlab扩展了TensorView在MATHEMATICA编程环境中的早期实现,并对其进行了补充,无需获得MATLAB许可证即可运行。TensorView for matlab可通过GitHub在https://github.com/LeoSvenningsson/TensorViewforMatlab,上获得,也可以通过NMRbox资源直接访问。
TensorView for MATLAB is a GUI-based visualization tool for depicting second-rank Cartesian tensors as surfaces on three-dimensional molecular models. Both ellipsoid and ovaloid tensor display formats are supported, and the software allows for easy conversion of Euler angles from common rotation schemes (active, passive, ZXZ, and ZYZ conventions) with visual feedback. In addition, the software displays all four orientation-equivalent Euler angle solutions for the placement of a single tensor in the molecular frame and can report relative orientations of two tensors with all 16 orientation-equivalent Euler angle sets that relate them. The salient relations are derived and illustrated through several examples. TensorView for MATLAB expands and complements the earlier implementation of TensorView within the Mathematica programming environment and can be run without a MATLAB license. TensorView for MATLAB is available through github at https://github.com/LeoSvenningsson/TensorViewforMatlab, and can also be accessed directly via the NMRbox resource.
DOI: 10.1039/d0sc05118g
发表时间: 2020-10-30
期刊: Chemical science
影响因子: 8.4
作者:
Chalek KR;Dong X;Tong F;Kudla RA;Zhu L;Gill AD;Xu W;Yang C;Hartman JD;Magalhães A;Al-Kaysi RO;Hayward RC;Hooley RJ;Beran GJO;Bardeen CJ;Mueller LJ
通讯作者: Mueller LJ
DOI: 10.1021/acsmacrolett.8b00820
发表时间: 2019-01-01
期刊: ACS MACRO LETTERS
影响因子: 7.015
作者:
Hynynen, Jonna;Jarsvall, Emmy;Mueller, Christian
通讯作者: Mueller, Christian
DOI: 10.1016/j.jmr.2014.01.004
发表时间: 2014-03-01
影响因子: 2.2
作者:
Biternas, A. G.;Charnock, G. T. P.;Kuprov, Ilya
通讯作者: Kuprov, Ilya
DOI: 10.1021/acs.chemmater.7b03035
发表时间: 2017-12-26
影响因子: 8.6
作者:
Kaloni, Thaneshwor P.;Giesbrecht, Patrick K.;Freund, Michael S.
通讯作者: Freund, Michael S.
DOI: 10.1021/ma00061a022
发表时间: 1993-04-26
期刊: MACROMOLECULES
影响因子: 5.5
作者:
CHMELKA, BF;SCHMIDT-ROHR, K;SPIESS, HW
通讯作者: SPIESS, HW