From owner-chemistry@ccl.net Sat Feb 18 02:20:00 2012 From: "Jean Jules FIFEN julesfifen~!~gmail.com" To: CCL Subject: CCL:G: Conformational search Message-Id: <-46327-120218015633-9240-4yVHu+cSPQDrW797eniqQw!A!server.ccl.net> X-Original-From: Jean Jules FIFEN Content-Type: multipart/alternative; boundary=20cf305b0a3a481ec804b9378f21 Date: Sat, 18 Feb 2012 07:56:25 +0100 MIME-Version: 1.0 Sent to CCL by: Jean Jules FIFEN [julesfifen_-_gmail.com] --20cf305b0a3a481ec804b9378f21 Content-Type: text/plain; charset=ISO-8859-1 Dear raphael, Sorry, this is not possible with gaussian software. Best regards, On 18 February 2012 00:51, Raphael Martinez raphaelmartinez1983[*]gmail.com wrote: > > Sent to CCL by: "Raphael Martinez" [raphaelmartinez1983(-)gmail.com] > Hi Everyone, > Is it possible to do a conformational search in Gaussian without > specifying an specific parameter to change? I mean just to draw a molecule > and "tell" Gaussian to search for "all" possible conformation that are > close in energy to the minimum. If this is possible, how can I do it? how > would be the command line in the input file? > I do not know if I made my self clear, it is just that I use to do this > with Hyperchem, just draw the molecule and run a conformational search > Thanks a lot for the help> > > -- Jules. --20cf305b0a3a481ec804b9378f21 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable

Dear raphael,
Sorry, this is not possible with gaussian= software.
Best regards,

On 18 Februar= y 2012 00:51, Raphael Martinez raphaelmartinez1983[*]gmail.com <owner-chemistry*o*ccl.net> wrote:

Sent to CCL by: "Raphael =A0Martinez" [raphaelmartinez1983(-)gmail.com]
Hi Everyone,
Is it possible to do a conformational search in Gaussian without specifying= an specific parameter to change? I mean just to draw a molecule and "= tell" Gaussian to search for "all" possible conformation tha= t are close in energy to the minimum. If this is possible, how can I do it?= how would be the command line in the input file?
I do not know if I made my self clear, it is just that I use to do this wit= h Hyperchem, just draw the molecule and run a conformational search
Thanks a lot for the help

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Jules.

--20cf305b0a3a481ec804b9378f21-- From owner-chemistry@ccl.net Sat Feb 18 04:55:00 2012 From: "Max J Prendergast eneas\a/usal.es" To: CCL Subject: CCL: Atom types in xyz files Message-Id: <-46328-120218045251-2379-8p3/62L4ZFLtKBdTWfs0pA{:}server.ccl.net> X-Original-From: "Max J Prendergast" Date: Sat, 18 Feb 2012 04:52:50 -0500 Sent to CCL by: "Max J Prendergast" [eneas]_[usal.es] Hi everybody, Im new using TINKER and im not able to run a single conformational search with OPLS-AA. Later, i realized it was necessary to use xyz files containing additional columns with the atom types of the force field employed. Is there any software (GUI) where i can draw the molecule and then save directly to xyz with the appropiate atom types with different force fields (OPLS-AA, AMBER, MMFFs)? Im working with peptides, so its very important to find a simple way to perform that. Thanks a lot. From owner-chemistry@ccl.net Sat Feb 18 05:34:00 2012 From: "Paolo Tosco paolo.tosco%x%unito.it" To: CCL Subject: CCL: Atom types in xyz files Message-Id: <-46329-120218053128-18581-T5kqwylpXFWd1vtNbbRIvg-,-server.ccl.net> X-Original-From: Paolo Tosco Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Sat, 18 Feb 2012 11:30:19 +0100 MIME-Version: 1.0 Sent to CCL by: Paolo Tosco [paolo.tosco * unito.it] Dear Max, for MMFF atom typing you may use sdf2xyz2sdf: http://sdf2xyz2sdf.sourceforge.net/ It is an open-source tool based on OpenBabel which reads input molecular structures in SDF format (you may save them in MDL MOL/SDF format from almost any molecular drawing tool, or save them in PDB/MOL2 format and later convert them to SDF with OpenBabel), and outputs MMFF-typed XYZ files ready to be used in TINKER. Full docs, download instructions and a mailing list address are available on the website. Best regards, Paolo -- ========================================================== Paolo Tosco, Ph.D. Phone: +39 011 6707680 Department of Drug Science Fax: +39 011 6707687 and Technology Mob: +39 348 5537206 Via Pietro Giuria, 9 10125 Torino, Italy http://open3dalign.org E-mail: paolo.tosco a unito.it http://open3dqsar.org ========================================================== On 02/18/2012 10:52 AM, Max J Prendergast eneasa/usal.es wrote: > Sent to CCL by: "Max J Prendergast" [eneas]_[usal.es] > Hi everybody, > > Im new using TINKER and im not able to run a single conformational search with OPLS-AA. Later, i realized it was necessary to use xyz files containing additional columns with the atom types of the force field employed. > > Is there any software (GUI) where i can draw the molecule and then save directly to xyz with the appropiate atom types with different force fields (OPLS-AA, AMBER, MMFFs)? > > Im working with peptides, so its very important to find a simple way to perform that. > > Thanks a lot.> > From owner-chemistry@ccl.net Sat Feb 18 06:20:00 2012 From: "sergio.manzetti:gmail.com" To: CCL Subject: CCL:G: Conformational search Message-Id: <-46330-120218055119-1811-MHi2ESFT3KsWAFcdYA7kHw!^!server.ccl.net> X-Original-From: sergio.manzetti^gmail.com Content-Type: multipart/alternative; boundary="========GMXBoundary134731329562269350603" Date: Sat, 18 Feb 2012 11:51:09 +0100 MIME-Version: 1.0 Sent to CCL by: sergio.manzetti . gmail.com --========GMXBoundary134731329562269350603 Content-Type: text/plain; charset="utf-8" Content-Transfer-Encoding: 8bit Dear Raphael, you enter the following in the command line: %Mem=500MB #P B3LYP/6-311+G* # Opt # polar # Gfinput IOP(6/7=3) Pop=full Density Test # Units(Ang,Deg) You can use other basis sets, for instance, using the 6-31G and estimating also frequencies would look like: %Mem=500MB #P B3LYP/6-31+G* # Opt freq # polar, # Gfinput IOP(6/7=3) Pop=full Density Test # Units(Ang,Deg) When you have submitted your job to Gaussian, and you want to open it and see all conformations you can use ChemCraft and in the left window you will see all conformations with their respective energies: www.chemcraftprog.com/ Alternatively you can use Gaussview and in the Open file dialog, you can activate the option "Read intermediate Geometries". Gabedit which is an excellent software can also analyze Gaussian results, however I am not sure how to visualize the intermediate geometries. Gabedit can be found here: http://gabedit.sourceforge.net/ Sergio ----- Original Message ----- > From: Raphael Martinez raphaelmartinez1983[*]gmail.com Sent: 02/18/12 12:51 AM To: Manzetti, Sergio Subject: CCL:G: Conformational search Sent to CCL by: "Raphael Martinez" [raphaelmartinez1983(-)gmail.com] Hi Everyone, Is it possible to do a conformational search in Gaussian without specifying an specific parameter to change? I mean just to draw a molecule and "tell" Gaussian to search for "all" possible conformation that are close in energy to the minimum. If this is possible, how can I do it? how would be the command line in the input file? I do not know if I made my self clear, it is just that I use to do this with Hyperchem, just draw the molecule and run a conformational search Thanks a lot for the helphttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt--========GMXBoundary134731329562269350603 Content-Type: text/html; charset="utf-8" Content-Transfer-Encoding: quoted-printable Dear Rap= hael, you enter the following in the command line:
=20
=20 %Mem=3D500MB
=20 #P B3LYP/6-311+G*
=20 # Opt
=20 # polar
=20 # Gfinput IOP(6/7=3D3) Pop=3Dfull Density Test
=20 # Units(Ang,Deg)
=20
=20
=20
=20 You can use other basis sets, for instance, using the 6-31G and estimating = also frequencies would look like:
=20
=20 %Mem=3D500MB
=20 #P B3LYP/6-31+G*
=20 # Opt freq
=20 # polar,
=20 # Gfinput IOP(6/7=3D3) Pop=3Dfull Density Test
=20 # Units(Ang,Deg)
=20
=20
=20 When you have submitted your job to Gaussian, and you want to open it and s= ee all conformations you can use ChemCraft and in the left window you will = see all conformations with their respective energies:
=20
=20 www.chemcraftprog.com/
=20
=20
=20 Alternatively you can use Gaussview and in the Open file dialog, you can ac= tivate the option "Read intermediate Geometries".
=20
=20 Gabedit which is an excellent software can also analyze Gaussian results, h= owever I am not sure how to visualize the intermediate geometries.
=20
=20 Gabedit can be found here:
=20
=20 http://gabedit.sourceforge.net/
=20
=20
=20 Sergio
=20

=20 =C2=A0

=20

=20 ----- = Original Message -----

=20

=20 From: = Raphael Martinez raphaelmartinez1983[*]gmail.com

=20

=20 Sent: = 02/18/12 12:51 AM

=20

=20 To: Ma= nzetti, Sergio

=20

=20 Subjec= t: CCL:G: Conformational search

=20
=20

=20

=20
Sent to CCL by: "Raphael  Martinez" [raphaelmartinez1983(-)gmail.com]=20
Hi Everyone,=20
Is it possible to do a conformational search in Gaussian without specifying=
 an specific parameter to change? I mean just to draw a molecule and "tell"=
 Gaussian to search for "all" possible conformation that are close in energ=
y to the minimum. If this is possible, how can I do it? how would be the co=
mmand line in the input file?=20
I do not know if I made my self clear, it is just that I use to do this wit=
h Hyperchem, just draw the molecule and run a conformational search=20
Thanks a lot for the help=20



-=3D This is automatically added to each message by the mailing script =3D-=
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Subscribe/Unsubscribe:=20=20=20

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=20

=20 =C2=A0

=20 --========GMXBoundary134731329562269350603-- From owner-chemistry@ccl.net Sat Feb 18 08:17:00 2012 From: "Fatemeh Moosavi fatemeh.moosavi .. gmail.com" To: CCL Subject: CCL: question on external field in DL_POLY Message-Id: <-46331-120218081131-31986-zqPgfuMhpMuKJf8sZD/mkA%%server.ccl.net> X-Original-From: "Fatemeh Moosavi" Date: Sat, 18 Feb 2012 08:11:30 -0500 Sent to CCL by: "Fatemeh Moosavi" [fatemeh.moosavi/./gmail.com] Dear All I have to run a job with external magnetic field by using DL_POLY. Unfortunately, I get the error when I add the following in the FIELD. extern magn 1000 2000 3000 Would you please advice me to solve my problem. Best regards F. Moosavi From owner-chemistry@ccl.net Sat Feb 18 09:04:00 2012 From: "Simon Halstead joyjoyhappyjoy[#]yahoo.co.uk" To: CCL Subject: CCL: question on external field in DL_POLY Message-Id: <-46332-120218090222-21790-6kPl6nhWi+sq5D7ucZPmUA|,|server.ccl.net> X-Original-From: Simon Halstead Content-Type: multipart/alternative; boundary="5169381-1001374126-1329573731=:37599" Date: Sat, 18 Feb 2012 14:02:11 +0000 (GMT) MIME-Version: 1.0 Sent to CCL by: Simon Halstead [joyjoyhappyjoy,+,yahoo.co.uk] --5169381-1001374126-1329573731=:37599 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: quoted-printable Looking at the manual, I think it should be:=0A=0Aextern=0Amagn =0A=0A1000 = 2000 3000=0A=0ASo, the numbers on the line after you specify the field type= .=0AIf this doesn't work, you may want to try the specialist DL_POLY forum:= =0A=0Ahttp://www.cse.clrc.ac.uk/disco/forums/ubbthreads.php?ubb=3Dpostlist&= Board=3D11&page=3D1=0A=0AThere are a lot of experts on there, including the= guys who write the code.=0A=0ARegards,=0A=0ASimon=0A=0A=0A=0A_____________= ___________________=0A From: Fatemeh Moosavi fatemeh.moosavi .. gmail.com <= owner-chemistry++ccl.net>=0ATo: "Halstead, Simon " =0ASent: Saturday, February 18, 2012 9:11 PM=0ASubject: CCL: qu= estion on external field in DL_POLY=0A =0A=0ASent to CCL by: "Fatemeh=A0 Mo= osavi" [fatemeh.moosavi/./gmail.com]=0ADear All=0AI have to run a job with = external magnetic field by using DL_POLY.=0AUnfortunately, I get the error = when I add the following in the FIELD.=0Aextern=0Amagn 1000 2000 3000=0AWou= ld you please advice me to solve my problem.=0A=0ABest regards=0AF. Moosavi= =0A=0A=0A=0A-=3D This is automatically added to each message by the mailing= script =3D-=0ATo recover the email address of the author of the message, p= lease change=0Athe strange characters on the top line to the ++ sign. You ca= n also=0A=0A=0AE-mail = to subscribers: CHEMISTRY++ccl.net or use:=0A=A0 =A0 =A0 http://www.ccl.net/= cgi-bin/ccl/send_ccl_message=0A=0AE-mail to administrators: CHEMISTRY-REQUE= ST++ccl.net or use=0A=A0 =A0 =A0 http://www.ccl.net/cgi-bin/ccl/send_ccl_mes= sage=0A=0A=0A=A0 =A0 =A0 http://www.ccl.net/chemistr= y/sub_unsub.shtml=0A=0ABefore posting, check wait time at: http://www.ccl.n= et=0A=0A=0AConferences: http://server.ccl.net/= chemistry/announcements/conferences/=0A=0ASearch Messages: http://www.ccl.n= et/chemistry/searchccl/index.shtml=0A=0AIf your mail bounces from CCL with = 5.7.1 error, check:=0A=A0 =A0 =A0=0A=0ARTFI= : http://www.ccl.net/chemistry/aboutccl/instructions/ --5169381-1001374126-1329573731=:37599 Content-Type: text/html; charset=iso-8859-1 Content-Transfer-Encoding: quoted-printable

Looking at= the manual, I think it should be:

extern
magn

1000 2000 3000

= So, the numbers on the line after you specify the field type.

If = this doesn't work, you may want to try the specialist DL_POLY forum:

<= div>

http://www.cse.clrc.ac.uk/disco/forums/ubbthreads.php?ub= b=3Dpostlist&Board=3D11&page=3D1

There are= a lot of experts on there, including the guys who write the code.

Regards,

Simon

From: Fatemeh= Moosavi fatemeh.moosavi .. gmail.com <owner-chemistry++ccl.net>
<= b>To: "Halstead, Simon -id#4n= 8-" <joyjoyhappyjoy++yahoo.co.uk>
Sent: Saturday, February 18, 2012 9:11 PM
Subject: CCL: question on external fi= eld in DL_POLY

=0A
Sent to CCL by: "Fatemeh = Moosavi" [fatemeh.moosavi/./gmail.com]
Dear All
I have to run a job = with external magnetic field by using DL_POLY.
Unfortunately, I get the = error when I add the following in the FIELD.
extern
magn 1000 2000 30= 00
Would you please advice me to solve my problem.

Best regardsF. Moosavi

-=3D This is automatically added to each messag= e by the mailing script =3D-
To recover the email address of the author = of the message, please change
the strange characters on the top line to = the ++ sign. You can also
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E-mai= l to administrators: CHEMISTRY-REQUEST++ccl.net or= use
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If your ma= il bounces from CCL with 5.7.1 error, check:
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RTFI: http://www.ccl.net/chemistry/aboutcc= l/instructions/

--5169381-1001374126-1329573731=:37599-- From owner-chemistry@ccl.net Sat Feb 18 11:44:01 2012 From: "Egon Willighagen egon.willighagen%x%gmail.com" To: CCL Subject: CCL: Open Source Toxicity Prediction and QSAR Software Message-Id: <-46333-120218025415-3889-b5YGQwyATRvUnqjGzXRnkQ===server.ccl.net> X-Original-From: Egon Willighagen Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=ISO-8859-1 Date: Sat, 18 Feb 2012 08:53:47 +0100 MIME-Version: 1.0 Sent to CCL by: Egon Willighagen [egon.willighagen###gmail.com] On Mon, Feb 6, 2012 at 5:38 PM, David Gallagher gallagher.da^^^gmail.com wrote: > One option to consider is the OpenTox project at http://opentox.org/ which > was funded by the EU from 2008-2011. �An example of a prototype toxicity > predictor built with OpenTox is available at > http://apps.ideaconsult.net:8080/ToxPredict , and a prototype tool to > automatically build predictive models from your own training data is posted > at http://www.toxcreate.org/create . We have recently integrated OpenTox predictions into Bioclipse. Here's the matching BMC Research Notes paper: http://www.biomedcentral.com/1756-0500/4/487 Binaries can be downloaded from: http://bioclipse.net/opentox I hope you like it, Egon -- Dr E.L. Willighagen Postdoctoral Researcher Department of Bioinformatics - BiGCaT Maastricht University (http://www.bigcat.unimaas.nl/) Homepage: http://egonw.github.com/ LinkedIn: http://se.linkedin.com/in/egonw Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers From owner-chemistry@ccl.net Sat Feb 18 14:21:01 2012 From: "Arindam Ganguly arindamganguly(~)gmail.com" To: CCL Subject: CCL: Open Source Toxicity Prediction and QSAR Software Message-Id: <-46334-120218125627-15038-0T/10aKR91ITypyo7sFl7A]|[server.ccl.net> X-Original-From: Arindam Ganguly Content-Type: multipart/alternative; boundary=20cf303a320b23e63104b940c76a Date: Sat, 18 Feb 2012 12:56:16 -0500 MIME-Version: 1.0 Sent to CCL by: Arindam Ganguly [arindamganguly=-=gmail.com] --20cf303a320b23e63104b940c76a Content-Type: text/plain; charset=ISO-8859-1 HI Egon, Thank you very much for the response to my query. Sincerely, Arindam On Sat, Feb 18, 2012 at 2:53 AM, Egon Willighagen egon.willighagen%x% gmail.com wrote: > > Sent to CCL by: Egon Willighagen [egon.willighagen###gmail.com] > On Mon, Feb 6, 2012 at 5:38 PM, David Gallagher > gallagher.da^^^gmail.com wrote: > > One option to consider is the OpenTox project at http://opentox.org/which > > was funded by the EU from 2008-2011. An example of a prototype toxicity > > predictor built with OpenTox is available at > > http://apps.ideaconsult.net:8080/ToxPredict , and a prototype tool to > > automatically build predictive models from your own training data is > posted > > at http://www.toxcreate.org/create . > > We have recently integrated OpenTox predictions into Bioclipse. Here's > the matching BMC Research Notes paper: > > http://www.biomedcentral.com/1756-0500/4/487 > > Binaries can be downloaded from: http://bioclipse.net/opentox > > I hope you like it, > > Egon > > -- > Dr E.L. Willighagen > Postdoctoral Researcher > Department of Bioinformatics - BiGCaT > Maastricht University (http://www.bigcat.unimaas.nl/) > Homepage: http://egonw.github.com/ > LinkedIn: http://se.linkedin.com/in/egonw > Blog: http://chem-bla-ics.blogspot.com/ > PubList: http://www.citeulike.org/user/egonw/tag/papers> > > -- Arindam Ganguly, Ph.D. Scientist, USP Applied Compendial Research-Spectrometry Laboratory http://www.linkedin.com/in/arindamganguly --20cf303a320b23e63104b940c76a Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable HI Egon,

Thank you very much for the response to my query.

Sincerely,

Arindam

On Sat, Feb 18, 2012 at 2:53 AM, Egon Willighagen egon.willighagen%x%gmail.com <owner-chemistry!^!ccl.net> wrote:

Sent to CCL by: Egon Willighagen [egon.willighagen###gmail.com]
On Mon, Feb 6, 2012 at 5:38 PM, David Gallagher
gallagher.da^^^gmail.com= <owner-ch= emistry__ccl.net> wrote:
> One option to consider is the OpenTox project at http://opentox.org/ which
> was funded by the EU from 2008-2011. =A0An example of a prototype toxi= city
> predictor built with OpenTox is available at
> http://apps.ideaconsult.net:8080/ToxPredict , and a prototype tool = to
> automatically build predictive models from your own training data is p= osted
> at http:= //www.toxcreate.org/create .

We have recently integrated OpenTox predictions into Bioclipse. Here's<= br> the matching BMC Research Notes paper:

= http://www.biomedcentral.com/1756-0500/4/487

Binaries can be downloaded from: http://bioclipse.net/opentox

I hope you like it,

Egon

--
Dr E.L. Willighagen
Postdoctoral Researcher
Department of Bioinformatics - BiGCaT
Maastricht University (http://www.bigcat.unimaas.nl/)
Homepage: http://ego= nw.github.com/
LinkedIn: htt= p://se.linkedin.com/in/egonw
Blog: http:= //chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers

-=3D This is automatically added to each message by the mailing script =3D-=
E-mail to subscribers: CHEMISTRY!^!ccl.n= et or use:
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Arindam G= anguly, Ph.D.
Scientist, USP
Applied Compendial Research-Spectrometry= Laboratory
http://www.linkedin.com/in/arindamganguly

--20cf303a320b23e63104b940c76a-- From owner-chemistry@ccl.net Sat Feb 18 16:33:00 2012 From: "Pezhman Zarabadi-Poor pzarabadip*gmail.com" To: CCL Subject: CCL: Atom types in xyz files Message-Id: <-46335-120218163153-30257-T74XnrkTPyYOe6E5XTmiHQ/a\server.ccl.net> X-Original-From: "Pezhman Zarabadi-Poor" Content-Language: en-us Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset="us-ascii" Date: Sun, 19 Feb 2012 01:01:39 +0330 MIME-Version: 1.0 Sent to CCL by: "Pezhman Zarabadi-Poor" [pzarabadip() gmail.com] Dear Max, If you look through the bin folder of package, there are a lot of executable files. Two of them can help you to easily create you input files. I don't know the format which you are using now but if you are working with PDB or SYBYL, you will have a easier way to generate xyz files. You will need following exe files: 1) pdbxyz.exe ----------> to convert pdb files to xyz files 2) sybylxyx.exe ----------> to convert sybyl files to xyx files 3) xyxedit.exe ----------> to edit the xyz file. You can find a lot of options after executing the file. ** Just please remember to have a key file with definition of desired force field file** Hint: If you have a small fragment and you would like to duplicate the fragment, it would be better for you to define the atom types in the smaller xyz file and then use xyzedit.exe to generate more fragments. Then, you will have whole the atoms defined in the last xyz file. If you have further questions on generating Tinker input files, please do not hesitate to contact with me. I was in a similar terrible situation. :) Best regards, Pezhman Zarabadi-Poor PhD Candidate of Inorganic Chemistry School of Chemistry College of Science University of Tehran Tehran Iran http://tehran.academia.edu/PezhmanZarabadiPoor http://www.intechopen.com/articles/show/title/synthesis-of-carbon-nanotubes- using-metal-modified-nanoporous-silicas -----Original Message----- > From: owner-chemistry+pzarabadip==gmail.com++ccl.net [mailto:owner-chemistry+pzarabadip==gmail.com++ccl.net] On Behalf Of Max J Prendergast eneasa/usal.es Sent: Saturday, February 18, 2012 1:23 PM To: Zarabadi-Poor, Pezhman Subject: CCL: Atom types in xyz files Sent to CCL by: "Max J Prendergast" [eneas]_[usal.es] Hi everybody, Im new using TINKER and im not able to run a single conformational search with OPLS-AA. Later, i realized it was necessary to use xyz files containing additional columns with the atom types of the force field employed. Is there any software (GUI) where i can draw the molecule and then save directly to xyz with the appropiate atom types with different force fields (OPLS-AA, AMBER, MMFFs)? Im working with peptides, so its very important to find a simple way to perform that. Thanks a lot.http://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt