Electron Spin Resonance Software Database

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href="https://www.niehs.nih.gov/research/resources">Resources for Scientists</a> <div class="list-level-3 third-level" aria-expanded="false" aria-hidden="true"> <i class="fa fa-times" aria-hidden="true" style=""></i> <div class="nav-feature"> <div class="third-level-content"> <div> <a class="viewMoreButton" href='https://www.niehs.nih.gov/research/resources'>Explore Resources for Scientists</a> </div> </div> </div> </div> </li> <li tabindex="0" class="accessible-megamenu-panel-group"> <a class="second-level-link" href="https://www.niehs.nih.gov/research/scientific-data">Scientific Data</a> <div class="list-level-3 third-level" aria-expanded="false" aria-hidden="true"> <i class="fa fa-times" aria-hidden="true" style=""></i> <div class="nav-feature"> <div class="third-level-content"> <div> <a class="viewMoreButton" href='https://www.niehs.nih.gov/research/scientific-data'>Explore Scientific Data</a> </div> </div> </div> </div> </li> </ul> <div class="level2MenuSpacer"></div> <div 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href="https://www.niehs.nih.gov/funding/acquisitions/bidboard">Acquisitions Bid Board</a> </li> <li> <a tabindex="0" class="level-3-link" href="https://www.niehs.nih.gov/funding/acquisitions/reaching">Reaching Acquisitions</a> </li> </ul> </div> </div> </div> </li> </ul> <div class="level2MenuSpacer"></div> <div class="megaMenuLandingContent"> <i class="fa fa-times" aria-hidden="true"></i> <div class="megaMenuText"> <div class="summary-text"> <div class="rxbodyfield">NIEHS provides many opportunities for funding to individual researchers, organizations, and businesses.</div> </div> <a href="https://www.niehs.nih.gov/funding">Explore Funding Opportunities</a> <span class="smallBackgroundImage"></span> </div> </div> </li> </ol> </div> </li> <li class="accessible-megamenu-top-nav-item careers"> <h2> <span tabindex="0" class="trackMe" data-seotracker="Menu: Careers & Training"> Careers & Training </span> </h2> <div class="panel-4 accessible-megamenu-panel" role="region" 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of job opportunities, career enhancement programs, and research training grants and programs in environmental health sciences and administration.</div> </div> <a href="https://www.niehs.nih.gov/careers">Explore Careers & Training</a> <span class="smallBackgroundImage"></span> </div> </div> </li> </ol> </div> </li> <li class="accessible-megamenu-top-nav-item news"> <h2> <span tabindex="0" class="trackMe" data-seotracker="Menu: News & Events"> News & Events </span> </h2> <div class="panel-5 accessible-megamenu-panel" role="region" aria-expanded="true" aria-hidden="false"> <ol class="list-level-1"> <li> <ul class="list-level-2 left"> <li class="landing-page-link"> <span> <a class="second-level-link " href="https://www.niehs.nih.gov/news">News & Events</a> </span> </li> <li tabindex="0" class="accessible-megamenu-panel-group"> <a class="second-level-link" href="https://www.niehs.nih.gov/news/events">Events</a> <div class="list-level-3 third-level" aria-expanded="false" aria-hidden="true"> 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class="level2MenuSpacer"></div> <div class="megaMenuLandingContent"> <i class="fa fa-times" aria-hidden="true"></i> <div class="megaMenuText"> <div class="summary-text"> <div class="rxbodyfield">Find out about the exciting discoveries being made by NIEHS and NIEHS-supported researchers that are helping to improve health and save lives.</div> </div> <a href="https://www.niehs.nih.gov/news">Explore News & Events</a> <span class="smallBackgroundImage"></span> </div> </div> </li> </ol> </div> </li> <li class="accessible-megamenu-top-nav-item about"> <h2> <span tabindex="0" class="trackMe" data-seotracker="Menu: About NIEHS"> About NIEHS </span> </h2> <div class="panel-6 accessible-megamenu-panel" role="region" aria-expanded="true" aria-hidden="false"> <ol class="list-level-1"> <li> <ul class="list-level-2 left"> <li class="landing-page-link"> <span> <a class="second-level-link " href="https://www.niehs.nih.gov/about">About NIEHS</a> </span> </li> <li tabindex="0" class="accessible-megamenu-panel-group"> <a class="second-level-link" href="https://www.niehs.nih.gov/about/od">Office of the Director</a> <div class="list-level-3 third-level" aria-expanded="false" aria-hidden="true"> <i class="fa fa-times" aria-hidden="true" style=""></i> <div class="nav-feature"> <div class="third-level-content"> <div> <a class="viewMoreButton" href='https://www.niehs.nih.gov/about/od'>Explore Office of the Director</a> </div> <ul class="link-container"> <li> <a tabindex="0" class="level-3-link" href="https://www.niehs.nih.gov/about/od/director">Director</a> </li> <li> <a tabindex="0" class="level-3-link" href="https://www.niehs.nih.gov/about/od/deputy">Deputy Director</a> </li> <li> <a tabindex="0" class="level-3-link" href="https://www.niehs.nih.gov/about/od/ocpl">Communications & Public Liaison</a> </li> <li> <a tabindex="0" class="level-3-link" href="https://www.niehs.nih.gov/about/od/ehp">Environmental Health Perspectives</a> </li> <li> <a tabindex="0" 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<div class="mobile-nav-wrapper"> <div class="mobile-bar hide-for-large"> <h2 class="hover">Your Environment. Your Health.</h2> <div class="responsive-menu--right-buttons accessible-megamenu-panel open" id="accessible-megamenu-1516297191073-2" role="region" aria-expanded="true" aria-hidden="false"> <div tabindex="0" role="button" class="mobile-search-button mobile-icon"></div> <div tabindex="0" role="button" class="mobile-menu-button mobile-icon"></div> </div> </div> <div class="mobile-search closeSearch"> <div class="search-wrapper show-for-small"> <form method="get" action="https://www.niehs.nih.gov/search/thundersearch"> <label for="sitesearchmobile" class="sweep-it-under-the-rug">Search NIEHS</label> <input class="box queryAutocomplete" id="sitesearchmobile" name="query" title="Site Search Mobile" aria-label="Site Search Mobile" onfocus="if(this.value==this.defaultValue) this.value='';" onblur="if(this.value=='') this.value=this.defaultValue;" type="text"> <button type="submit" placeholder="Search" id="search-btn2" value="submit" aria-label="submit">submit</button> </form> </div> </div> <nav id="mobileMenu" class="closeMenu" style="display:none;"> </nav> </div> </div> </header>  <div class='content-page'> <div class='content-header'> <div class='content-header--background-title research'> <div class='page-title-wrapper'> <div class='header-spacer'></div> <h1> Electron Spin Resonance Software Database </h1> </div> </div> </div> </div> <div class="content-page-wrapper">  <div class="content-page--inner-wrapper"> <div id="print-logo"> <img class="print-logo" src="https://www.niehs.nih.gov/themes/custom/niehs_cms/web-resources/images/NIH_NIEHS_Print_logo.gif" alt="National Institute of Environmental Health Sciences (NIEHS)" width="300" height="56"/> </div> <div class="menu-toggle menu-open"></div> <div class="left-nav-wrapper wwwStandardPI hide-for-small"> <div class="menu-toggle"></div> <nav id="menu" class="nav" >  <ul class="parentnav"> <li class="active " parent=""> <a class="nav-accordion-toggle" href="https://www.niehs.nih.gov/research"> Research </a> <ul class=" open"> <li class="active " parent=""> <a class="nav-accordion-toggle" href="https://www.niehs.nih.gov/research/resources"> Resources for Scientists </a> <div class="circle"> <div class="horizontal"></div> <div class="vertical"></div> </div> <ul class=" open"> <li class="active " parent=""> <a class="nav-accordion-toggle" href="https://www.niehs.nih.gov/research/resources/epresr"> Electron Paramagnetic Resonance/Electron Spin Resonance (EPR/ESR) </a> <div class="circle"> <div class="horizontal"></div> <div class="vertical"></div> </div> <ul class=" open"> <li class="this active " parent=""> <span>Electron Spin Resonance Software Database</span> <a href="https://www.niehs.nih.gov/research/resources/epresr/esrs_database" class="nav-accordion-toggle self is-active" id="mobileLink">Electron Spin Resonance Software Database</a> </li> <li class="active " parent=""> <a class="nav-accordion-toggle" href="https://www.niehs.nih.gov/research/resources/epresr/sensitivity"> Public Test of Electron Spin Resonance Sensitivity </a> </li> <li class="active " parent=""> <a class="nav-accordion-toggle" href="https://www.niehs.nih.gov/research/resources/epresr/resources"> EPR/ESR Resources </a> </li> <li class="active " parent=""> <a class="nav-accordion-toggle" href="https://www.niehs.nih.gov/research/resources/epresr/performance"> EPR System Performance Tests </a> </li> </ul> </li> </ul> </li> </ul> </li> </ul> </nav> </div> <noscript><div id="user-controls-nodisplay">Use the browser controls to adjust the font size, or print this page.</div></noscript> <article class="content"> <div class="content--inner-container" id="skip-navigation" name="skip-navigation"> <p> The EPR software database (ESDB) is a compilation of details about programs written for Electron Paramagnetic Resonance spectroscopists. It is intended partly as a resource for those looking for software for their own research. It is also a forum for discussion of software issues. For this reason, some programs have been retained on the list, where the contributors are still able to advise on the implementation of software or algorithms. </p> <h3>To find the program you need:</h3> <p> The programs are classified by the following: ENDOR; ESEEM, Pulsed, Interface; Manipulation; Utilities; Database; Education; Analysis; Simulation, divided into Anisotropic (including powder spectra), and Isotropic (including solution radicals), Crystal, Motion; Spin-label; Spin-spin (electron interactions); Spin-probe; Transition-ion, Cluster. These terms are preceded by ! to assist word-searching. </p> <h3>Which program is right for you?</h3> <p> We include some information, provided by the authors, about the algorithms used by the programs, and in most cases some documentation is provided with the programs. For some types of programs, such as simulation, there are many different approaches, and it is important to find the right one for your application. Programs differ in the hamiltonian terms (hyperfine, zero-field splittings, quadrupole, motion, etc.) which are included, and the approximations used. More exact calculations generally require more computer time. Programs differ in ease of use; some provide the simulated spectrum as a text file, others provide some graphical output; some will iteratively fit to an experimental spectrum. </p> <p> For software & further information: contact the authors directly. The conditions under which the programs are available are described. Programmers usually appreciate feedback about developments, applications, documentation and bugs. If you use any of the programs, particularly those that are offered as public-domain, you are expected to acknowledge their use in published work </p> <p> If you hear about new software developments, or have any other comments on the database, we are always interested to hear from you. Many thanks to: </p> <p> <ul> <li> All the programmers who have made the software available to the EPR community, and taken the trouble to document it. </li> <li> Ruth Williams, for keeping the database up to date. </li> <li> The Nuffield Foundation for a sponsorship. </li> <li> National Institute of Environmental Health Sciences for providing WWW services to the database. </ul> </p> <div id="relatedlinks" class="related-links--content-wrapper"> <div id="inner__row--related-links" class="title-blue--short--max-width related-title"> <div class="box__title--short">Related Links</div> </div> <div id="inner__row--related-links-container"> <ul class="inner-wrapper"> <li class="related-link"> <a href="/stdb/index.cfm" class="titlelink">Spin Trap Database</a> </li> </ul> </div> </div> <div id="download-player"></div> </div> </article> </div> <a id="back2top" href="#top" title="Back to Top">Back<br>to Top</a> </div>  <div id="review-date" class="review-date-common"><span>Last Reviewed: 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Electron Spin Resonance Software Database