Ion Simulator Interface

SimTK ISIM interface a simple Java graphical user interface for running the program ISIM. ISIM is package that simulates the thermodynamic ensemble of ions around a macromolecule using a grand canonical Monte Carlo scheme and simple hard sphere ion models. It is meant to provide an alternative mechanism to mean field approaches to allow the calculation of ion distributions around a highly charged molecule using a simple model that takes into account ion-ion correlations and steric interactions. The original source was created in the McCammon group at UCSD (http://mccammon.ucsd.edu/isim/). The version of ISIM used is available in the ISIM project on simtk.org. <br/><br/>This project includes the following software/data packages: <br/> <ul> <li> <a href="https://simtk.org/frs?group_id=85#pack_95">isim_interface </a> : Run ISIM Interface via Java Web Start </li> </ul>

SimTK ISIM 接口是一款简易的 Java 图形用户界面，用于运行 ISIM 程序。ISIM 是一款模拟围绕大分子离子热力学配对的软件包，它采用 grand canonical Monte Carlo 方案以及简单的硬球离子模型。该软件旨在提供一种不同于平均场方法的替代机制，以允许使用考虑离子-离子相关性和立体交互作用的简单模型来计算高电荷分子周围的离子分布。原始源代码由加州大学圣地亚哥分校 McCammon 研究小组创建（http://mccammon.ucsd.edu/isim/）。所使用的 ISIM 版本可在 simtk.org 上的 ISIM 项目中获取。本项目中包含以下软件/数据包：

<ul>
<li><a href="https://simtk.org/frs?group_id=85#pack_95">isim_interface</a> : 通过 Java Web Start 运行 ISIM 接口</li>
</ul>