Field‐Induced Residual Dipolar Couplings (fiRDC) are a valuable source of long‐range information on structure of nucleic acids (NA) in solution. A web application (HERMES) was developed for structure‐based prediction and analysis of the (fiRDCs) in NA. fiRDC prediction is based on input 3D model structure(s) of NA and a built‐in library of nucleobase‐specific magnetic susceptibility tensors and reference geometries. HERMES allows three basic applications: (i) the prediction of fiRDCs for a given structural model of NAs, (ii) the validation of experimental or modeled NA structures using experimentally derived fiRDCs, and (iii) assessment of the oligomeric state of the NA fragment and/or the identification of a molecular NA model that is consistent with experimentally derived fiRDC data. Additionally, the program's built‐in routine for rigid body modeling allows the evaluation of relative orientation of domains within NA that is in agreement with experimental fiRDCs.

中文翻译：

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HERMES –用于预测和分析磁场中感应的残留偶极耦合的软件工具

场致残差偶极联轴器（fiRDC）是溶液中核酸（NA）结构的长期信息的重要来源。开发了一个Web应用程序（HERMES），用于北美地区（fiRDC）的基于结构的预测和分析。fiRDC预测基于NA的输入3D模型结构以及核碱基特异性磁化率张量和参考几何的内置库。HERMES允许三个基本应用程序：（i）针对给定的NAs结构模型预测fiRDC，（ii）使用实验衍生的fiRDCs验证实验或建模的NA结构，以及（iii）评估NA片段的低聚状态和/或识别与实验得出的fiRDC数据一致的分子NA模型。此外，该程序