1<!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN" 2 "http://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd"> 3<html xmlns="http://www.w3.org/1999/xhtml"> 4<head> 5 <title> Molecular modeling software </title> 6 <link href="stylesheet.css" type="text/css" rel="stylesheet" /> 7 <link rel="shortcut icon" href="/favicon.ico" /> 8 <meta http-equiv="Content-Type" content="text/html; charset=windows-1251" /> 9 10 <meta name="keywords" content="molecular, modeling, software, simulations, molecular modeling, Molecular Dynamics, molecular mechanics" /> 11 12 <meta name="description" content="Software for molecular modeling. Molecular design. Molecular Dynamics simulations (DNA, proteins, water, liquids, solids, gases) and Quantum chemistry with PC GAMESS/Firefly, NWChem, CP2K." /> 13</head> 14 15<body> 16<div id="wrapper"> 17 18<div id="main_menu"> 19<ul style="padding-top: 88px;"> 20<li> <a href="index.html"> Home </a></li> 21<li> <a href="Products.html"> Products </a></li> 22<li> <a href="Gallery.html"> Gallery </a></li> 23<li> <a href="Purchase.html"> Download </a></li> 24<li> <a href="Contacts.html"> Contacts </a></li> 25<li> <a href="Credits.html"> Credits </a></li> 26<li> <a href="forum.html"> Forum </a></li> 27</ul> 28</div> 29 30<div id="content"> 31<!-- =============================================================================== --> 32<!-- 33<p> </p> 34<table style="border: 1px solid black;"> 35<tr> 36<td style="padding-left: 100px; padding-right: 100px;"> 37<h3 align="center" > 38We are on crowdfinding in Indiegogo! 39</h3> 40<h4 align="center"> 41There are two ways to help as: <br /><br /> 421. Post to <a href="https://twitter.com/agilemolecule">Twitter</a> and Facebook 43- the more people hear about us <br /><br /> 442. <a href="https://igg.me/at/abalone">Contribute</a> 45 - even small contributions raise our popularity and give us more visibility on the site 46</h4> 47</td> 48</tr> 49</table> 50--> 51 52<a href="Ascalaph/index.html"> 53<h1> Molecular modeling with Ascalaph </h1> 54</a> 55 56<p><a href="images/molecular-modeling.png"> 57<img src="images/molecular-modeling-software.png" border="1" alt="molecular modeling software" /> 58</a></p> 59 60<p> 61<em>Ascalaph</em> is a general purpose molecular modeling software that performs 62quantum mechanics calculations for initial molecular model development, 63<a href="Software_Molecular_Mechanics.html">molecular mechanics</a> 64and <a href="Ascalaph/Documents/Molecular-Dynamics.html">dynamics</a> simulations 65in the gas or in condensed phase. 66It can interact with external molecular modeling packages 67(<a href="http://people.su.se/~lyuba/mdynamix/">MDynaMix</a>, 68<a href="https://cec.mpg.de/forum/portal.php">ORCA</a>, 69<a href="http://www.emsl.pnl.gov/capabilities/computing/nwchem/">NWChem</a>, 70<a href="http://www.cp2k.org/">CP2K</a>, 71<a href="http://classic.chem.msu.su/gran/gamess/index.html">PC GAMESS/Firefly</a> 72and <a href="http://compbio.clemson.edu/delphi">DelPhi</a>). 73</p> 74<p> 75<a href="Ascalaph/index.html">Learn more about Ascalaph</a> 76 77 78 79 80<a href="Ascalaph/Packages.html"> Packages</a> 81 82 83<a href="Purchase.html"> Download</a> 84</p> 85 86<p> </p> 87 88 89 90 91<a href="Abalone/index.html"> 92<h1> Biomolecular simulations with Abalone </h1> 93</a> 94 95<p><a href="Abalone/images/Bio-molecular-modeling.png"> 96<img src="Abalone/images/Bio-molecular-modeling-software.png" border="1" alt="Bio-molecular modeling software" /> 97</a></p> 98 99<p> 100<em>Abalone</em> is designed for macromolecular simulations 101(<a href="Abalone/Protein-folding.html">proteins</a>, 102<a href="Abalone/DNA-ligand-simulations.html">DNA</a>). 103It supports both explicit and implicit solvent models. 104In contrast to Ascalaph, tailored to the simulation of small molecules, 105Abalone is focused on molecular dynamics modeling of biopolymers. 106It supports such effective methods as the Replica Exchange and hybrid Monte Carlo. 107<!-- Abalone is easy to install and it requires no external programs. --> 108</p> 109<p> 110<a href="Abalone/index.html">Learn more about Abalone</a> 111 112 113 114 115<a href="Abalone/Tutor.html"> Tutor</a> 116 117 118<a href="Abalone/Molecular-purchase.html"> Purchase</a> 119</p> 120 121<!-- <p> 122It is a system of plug-ins designed for specific tasks such as graphical 123interface, molecular model construction, simulations, or interface with 124external programs (Quantum chemistry and Molecular Dynamics). You can select 125a set of plug-ins for your specific tasks. Plug-ins are installed 126by copying to the <em>Ascalaph/bin/Plug-in</em> folder. Commercial and freeware 127plug-ins are available.</p> --> 128 129<p> </p> 130 131<!-- <p> 132<a href="images/Dna-molecular-modelling.png"> 133<img src="images/Dna-molecular-modelling-software.png" border="1" alt="Dna molecular modelling software" /> 134</a> 135<a href="images/Liquid-solid-gas-modelling.png"> 136<img src="images/Liquid-solid-gas-modelling-software.png" border="1" alt="Liquid solid gas modelling" /> 137</a> 138<a href="images/Protein-folding-and-water-molecule-modelling.png"> 139<img src="images/Protein-folding-and-water-molecule-modelling-software.png" border="1" alt="Protein folding modelling" /> 140</a> 141</p> 142 --> 143<a href="https://twitter.com/agilemolecule" class="twitter-follow-button" data-show-count="false">Follow @agilemolecule</a>
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144 145 146<p> </p> 147<p> </p> 148 149<!-- 150<a href="Freewares.html"> 151<h1> Previous software </h1> 152</a> 153 154<h4><a href="AGM_View.html"> <i>AGM View</i> molecular viewer</a> 155 156 157<a href="AGM_Build.html"> <i>AGM Build</i> molecular model designer</a></h4> 158 159 160<p> 161We continue to distribute these programs although they are no more developed. 162</p> 163--> 164 165<!-- =============================================================================== --> 166</div> 167<!-- content --> 168 169<div id="current_menu"> 170 171 172 173<h4> Software for: </h4> 174 175<ul> 176 <li> <a href="Abalone/Molecular-Building.html"> Molecular Design </a></li> 177 <li> <a href="Abalone/Simulations.html"> Simulations </a></li> 178<!-- <li> <a href="#">Extension (SDK)</a></li> --> 179</ul> 180 181<p> </p><p> </p> 182<!-- <h4> Projects: </h4> --> 183 184<h4> <a href="Abalone/index.html"> Abalone </a> </h4> 185<ul> 186 <li> <a href="Abalone/Tutor.html"> Tutor </a></li> 187 <li> <a href="Abalone/Manual.html"> Manual </a></li> 188</ul> <br /> 189 190<h4> <a href="Ascalaph/index.html"> Ascalaph </a> </h4> 191<ul> 192 <li> <a href="Ascalaph/Packages.html"> Packages </a></li> 193 <li> <a href="Ascalaph/Documents/Tutor.html"> Tutor </a></li> 194 <li> <a href="Ascalaph/Documents.html"> Documents </a></li> 195</ul> <br /> 196 197<br /> 198 199<h4> <a href="Software.html"> Useful Links </a></h4> 200 201<p> </p> 202<ul> 203 <li> <a href="Site-map.html" style="color:#bab7aa; font-size: 0.8em; text-align: right"> Site map </a></li> 204</ul> 205 206</div> 207 208<div id="copyright"> 209<img src="images/footer.png" border="0" alt="C60" /> 210Copyright © 2006-2010 Agile Molecule. All rights reserved 211 212</div> 213 214<p> </p> 215 216</div>
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