SOFTWARE DVMT, DOCUMENT & DISSEM WEB PAGES OF INFO ON MULTI SCALE MODELING TOOLS

这个子项目是许多研究子项目中利用 资源由NIH/NCRR资助的中心拨款提供。子项目和 调查员(PI)可能从NIH的另一个来源获得了主要资金， 并因此可以在其他清晰的条目中表示。列出的机构是 该中心不一定是调查人员的机构。 维护MMTSB网页(http://mmtsb.scripps.edu))是为了向科学界提供网络服务，分发和支持在资源中开发的软件工具，提供关于MMTSB资源及其项目的一般信息，并提供相关资源的选定链接。已经可用的Web服务包括非常成功和成熟的病毒粒子探索者数据库(VIPERdb)以及用于核酸和蛋白质建模应用的一些实用函数，特别是用于简化晶格模型和全原子表示与GO模型服务器之间的相互转换。 MMTSB网站本身是为多尺度蛋白质建模和结构预测应用开发的MMTSB工具集的分发站点。它是一个模块集合，主要是用Perl编写的，以确保可移植性，并允许轻松修改和扩展。该工具集为CHARMM、AMBER、MONSSTER、PSIRED和MONSSTER提供了专门面向蛋白质和核酸建模应用的接口，并实施了在模型相互转换和高级采样技术资源中开发的新方法。该工具集的设计是高度模块化的，为更复杂的定制应用程序提供易于使用的面向应用程序的实用程序以及灵活的编程接口。

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. The MMTSB web pages (http://mmtsb.scripps.edu) are maintained to provide web services to the scientific community, distribute and support software tools developed within the resource, offer general information about the MMTSB resource and its projects, and provide selected links to related resources. Already available web services include the very successful and established Virus Particle Explorer Database (VIPERdb) as well as some utility functions for nucleic acid and protein modeling applications, in particular for interconversion between reduced lattice models and all-atom representation and the Go-model server. The MMTSB web site itself is the distribution site for the MMTSB Tool Set that is being developed for multiscale protein modeling and structure prediction application. It is a collection of modules, mostly written in perl to ensure portability and allow for easy modifications and extensions. This tool set provides interfaces to CHARMM, Amber, MONSSTER, PSIRED and MODELLER specifically geared towards protein and nucleic acid modeling applications and implements new methods developed within the resources for model interconversion and advanced sampling techniques. The design of the tool set is highly modular offering easy-to-use application-oriented utilities as well as flexible programming interfaces for more complex customized applications.