From owner-chemistry@ccl.net Sun Jul 20 23:52:00 2008
From: "Vivek Sharma vivek.viv.sharma . gmail.com" <owner-chemistry[#]server.ccl.net>
To: CCL
Subject: CCL: free program for conformation searching
Message-Id: <-37377-080720085101-16654-6WBRAxGtVDVbvQBq6r8HcA[#]server.ccl.net>
X-Original-From: "Vivek Sharma" <vivek.viv.sharma^^^gmail.com>
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Date: Sun, 20 Jul 2008 04:45:33 -0700
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Sent to CCL by: "Vivek Sharma" [vivek.viv.sharma~~gmail.com]

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Hello,

AMMP (by Dr. Robert Harrison) is one I know and it does conformational
search. Please check if its doing Monte Carlo searching.

http://www.cs.gsu.edu/~cscrwh/ammp/ammp.html

regards,

Vivek

2008/7/19 gnli gnli*_*dicp.ac.cn <owner-chemistry- -ccl.net>:

>  *Dear CCLer,*
>
> *Can anyone recommend me some free charge program doing monte carlo
> conformation searching, i.e.  giving a initial structure, it can find those
> energy lowest conformations under the absolute configuration.*
>
> *Easier to be learned is better.*
>
> *Any advice is appreciated.*
>
> * *
>
> best wishes
> Guanna Li
> gnli.- -.dicp.ac.cn
>
>
>
>
>

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<div dir="ltr">Hello,<br><br>AMMP (by Dr. Robert Harrison) is one I know and it does conformational search. Please check if its doing Monte Carlo searching.<br><br><a href="http://www.cs.gsu.edu/~cscrwh/ammp/ammp.html">http://www.cs.gsu.edu/~cscrwh/ammp/ammp.html</a><br>
<br>regards,<br><br>Vivek<br><br><div class="gmail_quote">2008/7/19 gnli gnli*_*<a href="http://dicp.ac.cn">dicp.ac.cn</a> &lt;<a href="mailto:owner-chemistry- -ccl.net">owner-chemistry- -ccl.net</a>&gt;:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">









<div link="blue" vlink="purple" lang="ZH-CN">

<div style="">

<p><b><font face="Times New Roman" size="2"><span style="font-size: 10.5pt; font-weight: bold;" lang="EN-US">Dear CCLer,</span></font></b></p>

<p><b><font face="Times New Roman" size="2"><span style="font-size: 10.5pt; font-weight: bold;" lang="EN-US">Can anyone recommend me some free
charge program doing monte carlo conformation searching, i.e. &nbsp;giving a
initial structure, it can find those energy lowest conformations under the
absolute configuration.</span></font></b></p>

<p><b><font face="Times New Roman" size="2"><span style="font-size: 10.5pt; font-weight: bold;" lang="EN-US">Easier to be learned is better.</span></font></b></p>

<p><b><font face="Times New Roman" size="2"><span style="font-size: 10.5pt; font-weight: bold;" lang="EN-US">Any advice is appreciated.</span></font></b></p>

<p><b><font face="Times New Roman" size="2"><span style="font-size: 10.5pt; font-weight: bold;" lang="EN-US">&nbsp;</span></font></b></p>

<p><font face="Arial" size="2"><span style="font-size: 10pt; font-family: Arial;" lang="EN-US">best wishes<br>
Guanna Li<br>
</span></font><span lang="EN-US"><a href="mailto:gnli.- -.dicp.ac.cn" target="_blank"><font face="Arial" size="2"><span style="font-size: 10pt; font-family: Arial;">gnli.- -.dicp.ac.cn</span></font></a></span></p>

<p style="margin-bottom: 12pt;"><font face="宋体" size="2"><span style="font-size: 10pt;" lang="EN-US"><br>
<br>
</span></font><font size="2"><span style="font-size: 10pt;" lang="EN-US"></span></font></p>

<p><font face="Times New Roman" size="2"><span lang="EN-US">&nbsp;</span></font></p>

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