Eucb: A C++ program for molecular dynamics trajectory analysis

Eucb is a standalone program for geometrical analysis of molecular dynamics trajectories of protein systems. The program is written in GNU C++ and it can be installed in any operating system running a C++ compiler. The program performs its analytical tasks based on user supplied keywords. The source code is freely available from http://stavrakoudis.econ.uoi.gr/eucb under LGPL 3 license.Program summaryProgram title:EucbCatalogue identifier: AEIC_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEIC_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 31 169No. of bytes in distributed program, including test data, etc.: 297 364Distribution format: tar.gzProgramming language: GNU C++Computer: The tool is designed and tested on GNU/Linux systemsOperating system: Unix/Linux systemsRAM: 2 MBSupplementary material: Sample data files are availableClassification: 3Nature of problem: Analysis of molecular dynamics trajectories.Solution method: The program finds all possible interactions according to input files and the user instructions. Then it reads all the trajectory frames and finds those frames in which these interactions occur, under certain geometrical criteria. This is a blind search, without a priori knowledge if a certain interaction occurs or not. The program exports time series of these quantities (distance, angles, etc.) and appropriate descriptive statistics.Running time: Depends on the input data and the required options.