CCL: Mol2 format specification?



Re: [Rdkit-discuss] official Tripos MOL2 file format PDF
 document<javascript:void(0)>
 Nils Weskamp<http://www.mail-archive.com/search?l=rdkit-discuss(-)lists.sourceforge.net&q=from:%22Nils+Weskamp%22>
 Thu, 13 Apr 2017 07:48:29 -0700<http://www.mail-archive.com/search?l=rdkit-discuss(-)lists.sourceforge.net&q=date:20170413>
 Dear All,
 does this link help:
 https://www.yumpu.com/en/document/view/15425101/tripos-mol2-file-format
 Cheers,
 Nils
 On Thu, Apr 13, 2017 at 4:21 PM, Hannes Loeffler
 <hannes.loeff...(-)stfc.ac.uk
 > wrote:
 > On Tue, 11 Apr 2017 08:35:53 -0500
 > Francois BERENGER <francois.c.beren...(-)vanderbilt.edu> wrote:
 >
 > > Hello,
 > >
 > > Not directly related to rdkit, but if someone that have
 > > the original PDF of this file format could place it
 > > online permanently, that would be wonderful.
 >
 > What does "permanent" mean these days?  I can upload the copy I
 have if
 > you have a suggestion for a good location.
 >
 > Cheers,
 > Hannes.
 >
 > ------------------------------------------------------------
 > ------------------
 > Check out the vibrant tech community on one of the world's most
 > engaging tech sites, Slashdot.org! http://sdm.link/slashdot
 > _______________________________________________
 > Rdkit-discuss mailing list
 > Rdkit-discuss(-)lists.sourceforge.net
 > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
 >
 ------------------------------------------------------------------------------
 Check out the vibrant tech community on one of the world's most
 engaging tech sites, Slashdot.org! http://sdm.link/slashdot
 _______________________________________________
 Rdkit-discuss mailing list
 Rdkit-discuss(-)lists.sourceforge.net
 https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
 ________________________________
 > From: Bennion, Brian
 Sent: Thursday, April 27, 2017 4:51:04 PM
 To: CCL Subscribers
 Subject: Re: Mol2 format specification?
 There was a post on the RDKIT list for this description.  A user there posted
 the pdf online. I am looking for the link to share with this list.
 Brian Bennion
 ________________________________
 > From: owner-chemistry+bennion1==llnl.gov(-)ccl.net
 <owner-chemistry+bennion1==llnl.gov(-)ccl.net> on behalf of Elaine Meng
 meng[a]cgl.ucsf.edu <owner-chemistry(-)ccl.net>
 Sent: Thursday, April 27, 2017 1:40:47 PM
 To: Bennion, Brian
 Subject: CCL: Mol2 format specification?
 Sent to CCL by: "Elaine  Meng" [meng!=!cgl.ucsf.edu]
 Hi folks,
 I can no longer find any "official" (Tripos SYBYL) Mol2 file-format
 description.  Is anybody aware of a such a webpage or document accessible
 online?  There isn't even a description in wikipedia, as far as I can tell.  All
 I've found are short descriptions within the documentation for other programs.
 Thanks,
 Elaine
 ----------
 Elaine C. Meng, Ph.D.
 UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
 Department of Pharmaceutical Chemistry
 University of California, San Francisco
 -= This is automatically added to each message by the mailing script =-http://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp-:-//www.ccl.net/chemistry/sub_unsub.shtmlhttp-:-//www.ccl.net/spammers.txt--_000_CY1PR09MB0826A03E669F60625DD1F78BF6100CY1PR09MB0826namp_
 Content-Type: text/html; charset="iso-8859-1"
 Content-Transfer-Encoding: quoted-printable
 <html>
 <head>
 <meta http-equiv="Content-Type" content="text/html;
 charset=iso-8859-1">
 <meta name="Generator" content="Microsoft Exchange
 Server">
 <!-- converted from text --><style><!-- .EmailQuote {
 margin-left: 1pt; padding-left: 4pt; border-left: #800000 2px solid; }
 --></style>
 </head>
 <body>
 <style type="text/css" style="display:none;"><!-- P
 {margin-top:0;margin-bottom:0;} --></style>
 <div id="divtagdefaultwrapper"
 style="font-size:12pt;color:#000000;font-family:Calibri,Arial,Helvetica,sans-serif;"
 dir="ltr">
 <p></p>
 <div class="msgHead">
 <h1><span class="subject"><a
 href="javascript:void(0)" rel="nofollow"><span
 itemprop="name">Re: [Rdkit-discuss] official Tripos MOL2 file
 format PDF document</span></a></span>
 </h1>
 <p class="darkgray font13"><span class="sender
 pipe"><a href="http://www.mail-archive.com/search?l=rdkit-discuss(-)lists.sourceforge.net&amp;q=from:%22Nils&#43;Weskamp%22"
 rel="nofollow"><span itemprop="author"
 itemscope="" itemtype="http://schema.org/Person";><span
 itemprop="name">Nils
  Weskamp</span></span></a></span> <span
 class="date"><a href="http://www.mail-archive.com/search?l=rdkit-discuss(-)lists.sourceforge.net&amp;q=date:20170413"
 rel="nofollow">Thu, 13 Apr 2017 07:48:29
 -0700</a></span>
 </p>
 </div>
 <div itemprop="articleBody" class="msgBody">
 <pre>Dear All,
 does this link help:</pre>
 <pre><a rel="nofollow" href="https://www.yumpu.com/en/document/view/15425101/tripos-mol2-file-format";>https://www.yumpu.com/en/document/view/15425101/tripos-mol2-file-format</a>
 Cheers,
 Nils
 On Thu, Apr 13, 2017 at 4:21 PM, Hannes Loeffler
 &lt;hannes.loeff...(-)stfc.ac.uk
 &gt; wrote:
 &gt; On Tue, 11 Apr 2017 08:35:53 -0500
 &gt; Francois BERENGER &lt;francois.c.beren...(-)vanderbilt.edu&gt;
 wrote:
 &gt;
 &gt; &gt; Hello,
 &gt; &gt;
 &gt; &gt; Not directly related to rdkit, but if someone that have
 &gt; &gt; the original PDF of this file format could place it
 &gt; &gt; online permanently, that would be wonderful.
 &gt;
 &gt; What does &quot;permanent&quot; mean these days?  I can upload
 the copy I have if
 &gt; you have a suggestion for a good location.
 &gt;
 &gt; Cheers,
 &gt; Hannes.
 &gt;
 &gt; ------------------------------------------------------------
 &gt; ------------------
 &gt; Check out the vibrant tech community on one of the world's most
 &gt; engaging tech sites, Slashdot.org! <a rel="nofollow"
 href="http://sdm.link/slashdot";>http://sdm.link/slashdot</a>
 &gt; _______________________________________________
 &gt; Rdkit-discuss mailing list
 &gt; Rdkit-discuss(-)lists.sourceforge.net
 &gt; <a rel="nofollow" href="https://lists.sourceforge.net/lists/listinfo/rdkit-discuss";>https://lists.sourceforge.net/lists/listinfo/rdkit-discuss</a>
 &gt;
 </pre>
 <pre>------------------------------------------------------------------------------
 Check out the vibrant tech community on one of the world's most
 engaging tech sites, Slashdot.org! <a rel="nofollow" href="http://sdm.link/slashdot";>http://sdm.link/slashdot</a></pre>
 <pre>_______________________________________________
 Rdkit-discuss mailing list
 Rdkit-discuss(-)lists.sourceforge.net
 <a rel="nofollow" href="https://lists.sourceforge.net/lists/listinfo/rdkit-discuss";>https://lists.sourceforge.net/lists/listinfo/rdkit-discuss</a>
 </pre>
 </div>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <br>
 <p></p>
 </div>
 <hr style="display:inline-block;width:98%"
 tabindex="-1">
 <div id="divRplyFwdMsg" dir="ltr"><font
 face="Calibri, sans-serif" style="font-size:11pt"
 color="#000000"><b>From:</b> Bennion, Brian<br>
 <b>Sent:</b> Thursday, April 27, 2017 4:51:04 PM<br>
 <b>To:</b> CCL Subscribers<br>
 <b>Subject:</b> Re: Mol2 format specification?</font>
 <div>&nbsp;</div>
 </div>
 <div>
 <meta content="text/html; charset=UTF-8">
 <style type="text/css" style="">
 <!--
 p
 	{margin-top:0;
 	margin-bottom:0}
 -->
 </style>
 <div dir="ltr">
 <div id="x_divtagdefaultwrapper" dir="ltr"
 style="font-size:12pt; color:#000000;
 font-family:Calibri,Arial,Helvetica,sans-serif">
 <p>There was a post on the RDKIT list for this description.&nbsp; A
 user there posted the pdf online. I am looking for the link to share with this
 list.</p>
 <p>Brian Bennion<br>
 </p>
 </div>
 <hr tabindex="-1" style="display:inline-block;
 width:98%">
 <div id="x_divRplyFwdMsg" dir="ltr"><font
 face="Calibri, sans-serif" color="#000000"
 style="font-size:11pt"><b>From:</b>
 owner-chemistry&#43;bennion1==llnl.gov(-)ccl.net
 &lt;owner-chemistry&#43;bennion1==llnl.gov(-)ccl.net&gt; on behalf
 of Elaine Meng meng[a]cgl.ucsf.edu
 &lt;owner-chemistry(-)ccl.net&gt;<br>
 <b>Sent:</b> Thursday, April 27, 2017 1:40:47 PM<br>
 <b>To:</b> Bennion, Brian<br>
 <b>Subject:</b> CCL: Mol2 format specification?</font>
 <div>&nbsp;</div>
 </div>
 </div>
 <font size="2"><span style="font-size:10pt;">
 <div class="PlainText"><br>
 Sent to CCL by: &quot;Elaine&nbsp; Meng&quot;
 [meng!=!cgl.ucsf.edu]<br>
 Hi folks,<br>
 I can no longer find any &quot;official&quot; (Tripos SYBYL) Mol2
 file-format description.&nbsp; Is anybody aware of a such a webpage or
 document accessible online?&nbsp; There isn't even a description in
 wikipedia, as far as I can tell.&nbsp; All I've found are short descriptions
  within the documentation for other programs.<br>
 Thanks,<br>
 Elaine<br>
 ----------<br>
 Elaine C. Meng, Ph.D. <br>
 UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab<br>
 Department of Pharmaceutical Chemistry<br>
 University of California, San Francisco<br>
 <br>
 <br>
 <br>
 -= This is automatically added to each message by the mailing script
 =-<br<br=<br<br>
 <br<br>
 &nbsp;&nbsp;&nbsp;&nbsp;&nbsp; <a href="http://www.ccl.net/cgi-bin/ccl/send_ccl_message";>http://www.ccl.net/cgi-bin/ccl/send_ccl_message</a><br>
 <br<br>
 &nbsp;&nbsp;&nbsp;&nbsp;&nbsp; <a href="http://www.ccl.net/cgi-bin/ccl/send_ccl_message";>http://www.ccl.net/cgi-bin/ccl/send_ccl_message</a><br>
 <br<br>
 &nbsp;&nbsp;&nbsp;&nbsp;&nbsp; <a href="http://www.ccl.net/chemistry/sub_unsub.shtml";>http://www.ccl.net/chemistry/sub_unsub.shtml</a><br>
 <br>
 Before posting, check wait time at: <a href="http://www.ccl.net";>http://www.ccl.net</a><br>
 <br>
 Job: <a href="http://www.ccl.net/jobs";>http://www.ccl.net/jobs</a> <br>
 Conferences: <a href="http://server.ccl.net/chemistry/announcements/conferences/";>
 http://server.ccl.net/chemistry/announcements/conferences/</a><br>
 <br>
 Search Messages: <a href="http://www.ccl.net/chemistry/searchccl/index.shtml";>http://www.ccl.net/chemistry/searchccl/index.shtml</a><br>
 <br<br>
 &nbsp;&nbsp;&nbsp;&nbsp;&nbsp; <a href="http://www.ccl.net/spammers.txt";>=</a><br>
 <br>
 RTFI: <a href="http://www.ccl.net/chemistry/aboutccl/instructions/";>http://www.ccl.net/chemistry/aboutccl/instructions/</a><br>
 <br>
 <br>
 </div>
 </span></font></div>
 </body>
 </html>