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<title>-MolWorks- Integrated Software Tool for Molecular Design (Free!!)</title>
<link>http://www.molworks.com/en/</link>
<description>*  Molecular Design  *  Pre/Post Interface to Gaussian/Q-Chem/MOPAC/GAMESS  *  Estimate Properties of the Molecules  *</description>
<dc:language>ja</dc:language>
<dc:creator></dc:creator>
<dc:date>2006-01-06T14:49:46+09:00</dc:date>
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<rdf:li rdf:resource="http://www.molworks.com/en/detail/000066.html" />
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<item rdf:about="http://www.molworks.com/en/program/000072.html">
<title>MolWorks Programs</title>
<link>http://www.molworks.com/en/program/000072.html</link>
<description><![CDATA[<p>Please select your computational system and download the corresponding program.</p>

<a href="http://www.molworks.com/software/release/english/windows/mw-2_0.exe">
Windows98/Me/NT/2000/XP</a><br><br>

<a href="http://www.molworks.com/software/release/english/linux-intel/mw2_0.bin">
Linux</a><br><br>

<a href="http://www.molworks.com/software/release/english/mac_9/mw-1_8.bin">
MacOS (8.1-9.2.2)</a><br>
※ Version 1.8 is only available for MacOS (8.1-9.2.2)<br><br>

<a href="http://www.molworks.com/software/release/english/mac_X/mw-1_9.zip">
MacOS X (10.1)</a><br>
※ Version 1.9 is only available for MacOS X 10.1<br><br>]]></description>
<dc:subject>Programs</dc:subject>
<dc:creator>大橋バン</dc:creator>
<dc:date>2006-01-06T14:49:46+09:00</dc:date>
</item>
<item rdf:about="http://www.molworks.com/en/form/000071.html">
<title>Formats for downloading MolWorks</title>
<link>http://www.molworks.com/en/form/000071.html</link>
<description><![CDATA[<p>You can download the MolWorks from this page.</p>

<p>Please fill in the form below , then download the software.<br>
If you would like to see the"Software Installation Guide", please click <a href="../install/">here</a>.</p>

<p><font color="#CC0000">*</font> are required to fill.</p>

<form action="http://www.molworks.com/cgi-bin/en_mpmail/mpmail.cgi" method=post enctype=multipart/form-data>
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<td bgcolor="#1C8B93"><font color="#FFFFFF">First Name</font><font color="#CC0000">*</font></td>
<td bgcolor="#D5E2F7"> <input name=f_name id="f_name" size=29>
</td>
</tr>
<tr> 
<td bgcolor="#1C8B93"><font color="#FFFFFF">Middle Name</font></td>
<td bgcolor="#D5E2F7"> <input name=m_name id="m_name" size=17>
</td>
</tr>
<tr> 
<td bgcolor="#1C8B93"><font color="#FFFFFF">Last Name</font><font color="#CC0000">*</font></td>
<td bgcolor="#D5E2F7"> <input name=l_name id="l_name" size=17>
</td>
</tr>
<tr>
<td bgcolor="#1C8B93"><font color="#FFFFFF">Organization</font></td>
<td bgcolor="#D5E2F7"><input id=belong size=30 name=belong>
example: BestSystems Inc.</td>
</tr>
<tr> 
<td bgcolor="#1C8B93"><font color="#FFFFFF">Email Address </font><font color="#CC0000">*</font></td>
<td bgcolor="#D5E2F7">
<input id=mailaddress size=30 name=mailaddress>
</font>example: molworks@bestsystems.co.jp</td>
</tr>
<tr> 
<td bgcolor="#1C8B93"><font color="#FFFFFF">Email Address (confirmation)</font><font color="#CC0000">*</font></td>
<td bgcolor="#D5E2F7">
<input id=mailaddress2 size=30 name=mailaddress2> 
　
</td>
</tr>
<tr>
<td bgcolor="#1C8B93"><font color="#FFFFFF">Install Platform</font><font color="#CC0000">*</font></td>
<td bgcolor="#D5E2F7">
<select name=OS id="OS">
<option value="" selected>Select OS</option>
<option value="Windows98/Me/NT/2000/XP">Windows98/Me/NT/2000/XP</option>
<option value="Linux/Intel">Linux/Intel</option>
<option value="MacOS(8.1-9.2.2)">MacOS(8.1-9.2.2)</option>
<option value="MacOS(10.1)">MacOS(1031-10.2)</option>
</select></td>
</tr>
<tr>
<td bgcolor="#1C8B93"> <font color="#FFFFFF">Where did you hear about this software?</font><font color="#CC0000">*</font> </td>
<td bgcolor="#D5E2F7"><select name=comefrom> 
<option value="" selected>Select One of bellow</option>
<option value=Internet>From Internet</option>
<option value=magazine>From magazine</option>
<option value="my friends">From my friends</option> 
<option value=Others>Others</option></select></td>
</tr>
<tr> 
<td bgcolor="#1C8B93"><font color="#FFFFFF">Request<br>
Please fill your questions and suchlike in here.</font></td>
<td bgcolor="#D5E2F7"> 
<textarea id=opinion name=opinion rows=5 cols=38></textarea></td>
</tr>
<tr align="center"> 
<td colspan="2" nowrap>　<br>
<input name="送信" type=submit id="送信" value=　Confirm　>
<img src="../img/spacer.gif" width="10" height="10"> 
<input name="Reset" type=reset id="書き直す" value=　　Reset　　 /></td>
</tr>
</table>
</form>]]></description>
<dc:subject>Form</dc:subject>
<dc:creator>大橋バン</dc:creator>
<dc:date>2006-01-06T11:32:14+09:00</dc:date>
</item>
<item rdf:about="http://www.molworks.com/en/detail/000070.html">
<title>Function of building up molecules</title>
<link>http://www.molworks.com/en/detail/000070.html</link>
<description><![CDATA[<a name="buildMol" id="buildMol"></a>
<p>You can easily build up 2D molecules in the Molecule Window of MolWorks by using a mouse. You can also build up reasonable 3D molecules using the clean-up function and can change the atomic symbol and the bond order.</p>]]></description>
<dc:subject><![CDATA[<4001>Detail Description ]]></dc:subject>
<dc:creator>大橋バン</dc:creator>
<dc:date>2005-12-28T12:10:02+09:00</dc:date>
</item>
<item rdf:about="http://www.molworks.com/en/case/000069.html">
<title>Traditional Prediction Case</title>
<link>http://www.molworks.com/en/case/000069.html</link>
<description><![CDATA[<p>In order to examine the possibility of the neural network property estimation system and to prepare for new functions, we examined the property estimation expressions below.</p>

<a href="#boiling">◆ Boiling Point </a><br>
<a href="#logP">◆ logP ( octanol/water partition coefficient )</a><br>
<a href="#solubility">◆ Solubility ( solubility in water)</a><br>
<a href="#pKa">◆ pKa (dissociation constants in water)</a><br>
<a href="#tg">◆ Tg (glass-transition temperature)</a><br>]]></description>
<dc:subject><![CDATA[<401>Traditional Prediction Case]]></dc:subject>
<dc:creator>大橋バン</dc:creator>
<dc:date>2005-12-27T18:59:59+09:00</dc:date>
</item>
<item rdf:about="http://www.molworks.com/en/detail/000068.html">
<title>Pre/Post functions for Quantum Chemistry Software</title>
<link>http://www.molworks.com/en/detail/000068.html</link>
<description><![CDATA[<p>MolWorks prepares the interface for well-known quantum mechanics programs, like Gaussian, GAMESS, Q-Chem and MOPAC.</p>]]></description>
<dc:subject><![CDATA[<4001>Detail Description ]]></dc:subject>
<dc:creator>大橋バン</dc:creator>
<dc:date>2005-12-27T13:53:35+09:00</dc:date>
</item>
<item rdf:about="http://www.molworks.com/en/detail/000067.html">
<title>Functions for Properties Estimation</title>
<link>http://www.molworks.com/en/detail/000067.html</link>
<description><![CDATA[<p>MolWorks has the capability to estimate the properties of the molecules based on "Group Contribution Method ( Joback method )" and "Principle of Corresponding States".</p>]]></description>
<dc:subject><![CDATA[<4001>Detail Description ]]></dc:subject>
<dc:creator>大橋バン</dc:creator>
<dc:date>2005-12-27T12:28:13+09:00</dc:date>
</item>
<item rdf:about="http://www.molworks.com/en/detail/000066.html">
<title>Chemical Engineering</title>
<link>http://www.molworks.com/en/detail/000066.html</link>
<description><![CDATA[<p>Based on estimated properties of pure components, you can apply the PVT diagram of not only pure component but also mixtures. You can simulate any ratio of 2 pure components.</p>
]]></description>
<dc:subject><![CDATA[<4001>Detail Description ]]></dc:subject>
<dc:creator>大橋バン</dc:creator>
<dc:date>2005-12-27T11:25:38+09:00</dc:date>
</item>
<item rdf:about="http://www.molworks.com/en/term/000065.html">
<title>Property Estimation</title>
<link>http://www.molworks.com/en/term/000065.html</link>
<description><![CDATA[<p>Property estimation is the technology for calculating molecular properties from several molecular information.</p>]]></description>
<dc:subject><![CDATA[<4002>Related Technology]]></dc:subject>
<dc:creator>大橋バン</dc:creator>
<dc:date>2005-12-26T15:22:51+09:00</dc:date>
</item>
<item rdf:about="http://www.molworks.com/en/term/000064.html">
<title>Group Contribution Methods</title>
<link>http://www.molworks.com/en/term/000064.html</link>
<description><![CDATA[<p>Group contribution methods are the methods of molecular property estimation from the information of groups which construct the molecule.</p>]]></description>
<dc:subject><![CDATA[<4002>Related Technology]]></dc:subject>
<dc:creator>大橋バン</dc:creator>
<dc:date>2005-12-26T14:49:17+09:00</dc:date>
</item>
<item rdf:about="http://www.molworks.com/en/term/000063.html">
<title>Neural Network Methods</title>
<link>http://www.molworks.com/en/term/000063.html</link>
<description><![CDATA[<p>The concept of a neural network (NN) is to develop a simple mathematical model of the human brain. A neural network is expressed as the network model that consists of neurons and weights which connect each neuron. This network is the function that derives the result corresponding to the teaching process from input data.</p>
]]></description>
<dc:subject><![CDATA[<4002>Related Technology]]></dc:subject>
<dc:creator>大橋バン</dc:creator>
<dc:date>2005-12-26T14:46:36+09:00</dc:date>
</item>
<item rdf:about="http://www.molworks.com/en/news/000062.html">
<title>2006. MolWorks+G will be available</title>
<link>http://www.molworks.com/en/news/000062.html</link>
<description>MolWorks+G including grid technologies will be available.
</description>
<dc:subject>News</dc:subject>
<dc:creator>大橋バン</dc:creator>
<dc:date>2005-12-21T10:30:23+09:00</dc:date>
</item>
<item rdf:about="http://www.molworks.com/en/news/000061.html">
<title>2006. MolWorks2.1 will be available</title>
<link>http://www.molworks.com/en/news/000061.html</link>
<description>MolWorks2.1 will be available.</description>
<dc:subject>News</dc:subject>
<dc:creator>大橋バン</dc:creator>
<dc:date>2005-12-21T10:23:25+09:00</dc:date>
</item>
<item rdf:about="http://www.molworks.com/en/news/000060.html">
<title>2006.02.   MolWorks Home Page was renewed.</title>
<link>http://www.molworks.com/en/news/000060.html</link>
<description>We renewed MolWorks Home Page.</description>
<dc:subject>News</dc:subject>
<dc:creator>大橋バン</dc:creator>
<dc:date>2005-12-21T10:17:42+09:00</dc:date>
</item>
<item rdf:about="http://www.molworks.com/en/+G/000059.html">
<title>Overview of MolWorks+G</title>
<link>http://www.molworks.com/en/+G/000059.html</link>
<description><![CDATA[◆Overview of MolWorks+G<BR>
MolWorks+G has same function of MolWorks2.1.  MolWorks+G is an integrated software tool for molecular design based on Grid Computing. Grid technology equipped on MolWorks+G realizes the execution of scaleable molecular simulation. You can draw a new molecule on your PC at bench side and execute large scale molecular simulation on a Super Computing facility via Intra or Internet.<BR>
<BR>

◆What is Grid technology?<BR>
Gird technology is expected to provide solutions for wide requirements from Computer Aided Molecular or Materials design. CAMD requires a Large variety of computer resources, which are available by a grid function of flexible computer facility allocation. Seamless access to computational resources is also realized by Globus Toolkit of globally distributed. To use these advantages, MolWokrs+G provides simple GUI environments.
<BR>
<BR>

◆Features of MolWorks+G<BR>
MolWorks+G provides users with many functions required to execute computational chemical simulations on the Grid environments.<BR>
・Creating Input Data for the simulation<br>
・Creating a Proxy for certification<br>
・Job Controls<br>
・Job submission to a user specified host<br>
・Check the job status<br>
・File transfer through Grid FTP<br>
<BR>

◆Grid technologies of MolWorks+G<BR>
We use the Java Cog Kits and Globus Tool Kit technologies for implementing gird functions. MolWokrs+G execute grid jobs through these libraries. MolWorks+G bridges the gulf between the grid environment and applications. User can use the applications easily on the grid environment  by using only the GUI of MolWorks+G and does not need to mind how to use the functions or commands of Globus Tool Kit.<br>
<br><br><br>

<p><center><strong>Conceptual diagram of MolWorks+G</strong></center><br>
<center><img src="../img/MolWorks_G_fig01.jpg" width="346" height="256" vspace="4">
</center></p><br>

<p><center><strong>Conceptual diagram how to use MolWorks+G</strong></center><br>
<center><img src="../img/MolWorks_G_fig02.jpg" width="456" height="338" vspace="4">
</center></p>]]></description>
<dc:subject><![CDATA[<101>MolWorks+G]]></dc:subject>
<dc:creator>大橋バン</dc:creator>
<dc:date>2005-12-13T11:07:23+09:00</dc:date>
</item>
<item rdf:about="http://www.molworks.com/en/download/000058.html">
<title>MolWorks Download</title>
<link>http://www.molworks.com/en/download/000058.html</link>
<description><![CDATA[<p>You can download MolWorks from this page.<br>
MolWorks which you are going to download excludes Techical Support.</p>

<p>If you would like to see the "Software Installation Guide", please click <a href="../install/">here</a>.</p>

<div style="overflow:auto;width:500px;height:400px;padding:0px;">
<table width="95%"  border="0" align="center" cellpadding="10" cellspacing="0">
<tr>
<td bgcolor="#FFFFCC"><center>
<p class="l"><strong>MolWorks Software License Agreement</strong></p>
</center>
License Information<br />
The MolWorks program and all resources in the MolWorks application files and its manual are Copyright by Best Systems Inc (BSI) with all rights reserved worldwide. Information in this document is subject to change without notice and does not represent a commitement on the part of BSI. <p></p>

<p>Both these materials and the right to use them are owned exclusively by BSI. Use of these materials is licensed by BSI under the terms of a software license agreement.</p>

<p>Trademarks<br />
Molworks is a trademark of Best Systems Inc (BSI).</p>

<p>BSI End-User Agreement for Software Products<br />
Important: This BSI License Agreement ("Agreement")is a legal agreement between you, the end user (either indivisual or entity), and Best Systems Inc("BSI") regarding the use of BSI software products, which may include computer software, the associated media, any printed materials, 
and any "online" or electronic documantation. By installing, copying or otherwise using any BSI software products, you signify that you have read the BSI License Agreement and agree to be bound by its temrs.If you do not agree to the Agreement's terms , promptly return the package and 
all its contents to the place of purchase for a full refund.</p>

<p>Best Systems Inc (BSI) - Software License:<br>
1.  Grant of License. BSI Software Products are licensed,not sold. BSI grants and you hereby accept a nonexclusive license to use one copy of the enclosed Software Product(“Software”）in accordance with the terms of this Agreement. This licensed copy of the Software may only be used
on a single computer, except as provided below.You may physically transfer the Software from one computer to another for your own use, provided the Software is in use (or installed）on only one computer at a time.If the Software is premanently installed on your computer（other than a network server, you may also use the Software on a portable or home computer, provided that you use the software on only one computerat a time.<br>

You may not (a) electronically transfer the Software from one computer to another, (b) distribute copies of the Software to others, or (c) modify or translate the Software without the prior written 
consent of BSI, (d) place the software  on a server so that it is accessible via a public network such as the Internet, (e) sublicense, rent, lease or lend any portion of the Software or Documentation, or (f) modify or adapt the Software or merge it into another program.<br>

The Software may be placed on a file or disk server connected to a network , provided that a license has been purchased for every computer with access to that server. You may make only those copies of the Software which are necessary to install and use it as permitted by this
agreement, or are for purposes of backup and archival records; all copies shall bear BSI's copyright and proprietary notices. You may not make copies of any accompanying  written materials.</p>

<p>2.  Ownership<br>
The Software is and at all times shall remain the sole property of BSI. This ownership is protected by the copyright laws of Japan and by international treaty provisions. Upon expiration or termination of this agreement, you shall promptly return all copies of the Software and accompanying written materials to BSI. You may not modify, decompile, reverse engineer, or disassemble the Software.</p>

<p>3.  Assignment Restrictions.<br>
You may not rent, lease, or otherwise sublet the Software or any part thereof. You may transfer on a permanent basis the rights granted under this license provided you transfer this Agreement and all copies of the Software, including prior versions, and all accompanying materials. The recipient must agree to the terms of this Agreement in full and register this transfer in writing with BSI.</p>

<p>4.  Use of Included Data.<br>
All title and copyrights in and to the Software product, including but not limited to any images, photographs, animations, video, audio, music, text, “applets,” and date files and databases (the “Included Data”), are owned by BSI. You may not copy, distribute or otherwise make publicly available this Included Data. All rights not specifically granted under this Agreement are reserved 
by BSI.</p>

<p>5.  Termination.<br>
You may terminate the license at any time by destroying all copies of the Software and documentation in your possession. Without prejudice to any other rights, BSI may terminate this Agreement if you fail to comply with its terms and conditions. In such event, you must destroy all copies of the Software Product and all of its component parts.</p>

<p>6.  Confidentiality.<br>
The Software contains trade secrets and proprietary know-how that belong to BSI and are being made available to you in strict confidence.<p>

<p>ANY USE OR DISCLOSURE OF THE SOFTWARE,OR USE OF ITS ALGORITHMS, PROTOCOLS OR INTERFACES, OTHER THAN IN STRICT ACCORDANCE WITH THIS LICENSE AGREEMENT, MAY BE ACTIONABLE AS A VIOLATION OF OUR TRADE SECRET RIGHTS.</p>

<p>BSI Limited Warranty:<br>
BSI's sole warranty with respect to the Software is that it shall be free of errors in program logic or documentation, attributable to BSI, which prevent the performance of the principal computing functions of the Software. BSI warrants this for a period of ninety (90) days from the date of receipt.</p>

<p>BSI's Liability:<br>
In no event shall BSI be liable for any indirect, special, or consequential damages, such as, but not limited to,loss of anticipated profits or other economic loss in connection with or arising out of the use of the software by you or the services provided for in this agreement, even if BSI has been advised of the possibility of such dameges.</p>

<p>BSI's entire liability and your exclusive remedy shall be, at BSI's discretion, either(A) return of any license fee, or(B) correction or 
replacement of software that does not meet the terms of this limited 
warranty and that is returned to BSI with a copy of your purchase 
receipt.</p>

<p>NO OTHER WARRANTIES. BSI DISCLAIMS OTHER IMPLIED WARRANTIES, INCLUDING, 
BUT NOT LIMITED TO, IMPLIED WARRANTIES OF MERCHANTABILITY OR FITNESS 
FOR A PARTICULAR PURPOSE, AND IMPLIED WARRANTIES ARISING BY USAGE OF 
TRADE, COURSE OF DEALING, OR COURSE OF PERFORMANCE. NOTWITHSTANDING 
THE ABOVE, WHERE APPLICABLE, IF YOU QUALIFY AS A“CONSUMER”UNDER THE 
MAGNUSONMOSS WARRANTY ACT, THEN YOU MAY BE ENTITLED TO ANY IMPLIED 
WARRANTIES ALLOWED BY LAW FOR THE PERIOD OF THE EXPRESS WARRNTY AS SET 
FORTH ABOVE. SOME STATES DO NOT ALLOW LIMITATIONS ON IMPLIED WARRANTIES,
SO THE ABOVE LIMITATION MIGHT NOT APPLY TO YOU. THIS WARRANTY GIVES YOU 
SPECIFIC LEGAL RIGHTS, AND YOU MAY ALSO HAVE OTHER RIGHTS WHICH VARY 
FROM STATE TO STATE.</p>

<p>No Waiver:<br>
The failure of either party to assert a right hereunder or to insist upon compliance with any term or condition of this Agreement shall not constitute a waiver of that right or excuse a similar subsequent failure to perform any such term or condition by the other party.</p>

<p>Governing Law:<br>
This Agreement shall be construed according to the laws of Japan.</p>
<p>I hereby understood above Software License Agreement and I </p></td>
</tr>
</table>
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<dc:subject><![CDATA[<201>Download]]></dc:subject>
<dc:creator>大橋バン</dc:creator>
<dc:date>2005-11-10T14:28:10+09:00</dc:date>
</item>


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