From owner-chemistry@ccl.net Thu Apr 27 20:09:00 2017 From: "Bennion, Brian bennion1(~)llnl.gov" To: CCL Subject: CCL: Mol2 format specification? Message-Id: <-52770-170427195224-27120-d13bc3mUg8HuskBwXZnnXQ~!~server.ccl.net> X-Original-From: "Bennion, Brian" Content-Language: en-US Content-Type: multipart/alternative; boundary="_000_CY1PR09MB0826A03E669F60625DD1F78BF6100CY1PR09MB0826namp_" Date: Thu, 27 Apr 2017 23:52:16 +0000 MIME-Version: 1.0 Sent to CCL by: "Bennion, Brian" [bennion1*|*llnl.gov] --_000_CY1PR09MB0826A03E669F60625DD1F78BF6100CY1PR09MB0826namp_ Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable Re: [Rdkit-discuss] official Tripos MOL2 file format PDF document Nils Weskamp Thu, 13 Apr 2017 07:48:29 -0700 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 wrote: > On Tue, 11 Apr 2017 08:35:53 -0500 > Francois BERENGER 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 post= ed the pdf online. I am looking for the link to share with this list. Brian Bennion ________________________________ > From: owner-chemistry+bennion1=3D=3Dllnl.gov(-)ccl.net on behalf of Elaine Meng meng[a]cgl.ucsf.edu Sent: Thursday, April 27, 2017 1:40:47 PM To: Bennion, Brian Subject: CCL: Mol2 format specification? Sent to CCL by: "Elaine Meng" [meng!=3D!cgl.ucsf.edu] Hi folks, I can no longer find any "official" (Tripos SYBYL) Mol2 file-format descrip= tion. 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 -=3D This is automatically added to each message by the mailing script =3D-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

Re: [Rdkit-discuss] official Tripos MOL2 file form= at PDF document

Nils Weskamp Thu, 13 Apr 2017 07:48:29 -0700 

Dear All,=0A=
=0A=
does this link help:
https://www.yumpu.com/en/document/view/15425=
101/tripos-mol2-file-format=0A=
=0A=
Cheers,=0A=
Nils=0A=
=0A=
=0A=
On Thu, Apr 13, 2017 at 4:21 PM, Hannes Loeffler <hannes.loeff...(-)stfc.a=
c.uk=0A=
> wrote:=0A=
=0A=
> On Tue, 11 Apr 2017 08:35:53 -0500=0A=
> Francois BERENGER <francois.c.beren...(-)vanderbilt.edu> wrote:=0A=
>=0A=
> > Hello,=0A=
> >=0A=
> > Not directly related to rdkit, but if someone that have=0A=
> > the original PDF of this file format could place it=0A=
> > online permanently, that would be wonderful.=0A=
>=0A=
> What does "permanent" mean these days?  I can upload the cop=
y I have if=0A=
> you have a suggestion for a good location.=0A=
>=0A=
> Cheers,=0A=
> Hannes.=0A=
>=0A=
> ------------------------------------------------------------=0A=
> ------------------=0A=
> Check out the vibrant tech community on one of the world's most=0A=
> engaging tech sites, Slashdot.org! http://sdm.link/slashdot=0A=
> _______________________________________________=0A=
> Rdkit-discuss mailing list=0A=
> Rdkit-discuss(-)lists.sourceforge.net=0A=
> https://lists.sourceforge.net/lists/listinfo/rdkit-discus=
s=0A=
>=0A=

----------------------------------------------------------------------=
--------=0A=
Check out the vibrant tech community on one of the world's most=0A=
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________=0A=
Rdkit-discuss mailing list=0A=
Rdkit-discuss(-)lists.sourceforge.net=0A=
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss=
=0A=






















































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 th= ere posted the pdf online. I am looking for the link to share with this lis= t.

Brian Bennion

From: owner-chemistry+= ;bennion1=3D=3Dllnl.gov(-)ccl.net <owner-chemistry+bennion1=3D=3Dllnl.= gov(-)ccl.net> on behalf of Elaine Meng meng[a]cgl.ucsf.edu <owner-chem= istry(-)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!=3D!cgl.ucsf.edu]
Hi folks,
I can no longer find any "official" (Tripos SYBYL) Mol2 file-form= at description.  Is anybody aware of a such a webpage or document acce= ssible 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



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