ESPmax

Various Methods for Reading Images in MATLAB

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Table of Contents:(1) DPABI Package’s y_ReadAll Function(2) DPABI Package’s y_Read Function(3) SPM Package’s <span><span>spm_vol</span></span> + <span><span>spm_read_vols</span></span> Function Briefly introduce the difference between NIfTI 3D and 4D files: 1. 3D Files: Contains only one three-dimensional image Pixels in the x, y, and z directions Example: Brain structure scan Each 3D image is referred to as a … Read more

Calculating Electrostatic Potential ESPmax & ESPmin with Multiwfn and Visualization

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Calculating Electrostatic Potential ESPmax & ESPmin with Multiwfn and Visualization

In the previous article, we discussed that the gas-phase interactions include electrostatic interactions. This tutorial describes the calculation of electrostatic interactions through electrostatic potential, commonly using ESPmax, ESPmin, and the positions of the electrostatic potential surface extrema to analyze reaction/binding sites/molecular polarity (Adv. Energy Mater. 2023, 13, 2300259). This article summarizes the steps for calculating … Read more