From owner-chemistry@ccl.net Wed May 25 03:07:00 2011 From: "bonoit dahmani bonoit_10(-)yahoo.fr" To: CCL Subject: CCL:G: Re : CCL:G: Use of Ram Disk Message-Id: <-44742-110525030434-1879-dI/TWcPS7EK556KuJCIj9w*server.ccl.net> X-Original-From: bonoit dahmani Content-Type: multipart/alternative; boundary="0-2082001026-1306307066=:83072" Date: Wed, 25 May 2011 08:04:26 +0100 (BST) MIME-Version: 1.0 Sent to CCL by: bonoit dahmani [bonoit_10++yahoo.fr] --0-2082001026-1306307066=:83072 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: quoted-printable Hi, =A0You can try to put the following: %rwf=3D1.rwf, 10GB,2.rwf, 10GB,3.rwf, 10GB... I hope that will help you Good luck Bonoit --- En date de=A0: Mar 17.5.11, John McKelvey jmmckel{:}gmail.com a =E9crit=A0: De: John McKelvey jmmckel{:}gmail.com Objet: CCL:G: Use of Ram Disk =C0: "Bonoir, Bonoir " Date: Mardi 17 mai 2011, 16h25 Folks, Has anyone successfully used linux ram-disk, /dev/shm, for Gaussian RW file= s? John --=20 John McKelvey 10819 Middleford Pl Ft Wayne, IN 46818 260-489-2160 jmmckel-,-gmail.com --0-2082001026-1306307066=:83072 Content-Type: text/html; charset=iso-8859-1 Content-Transfer-Encoding: quoted-printable
Hi,
 You can try to put the following:
%rwf=3D1.rwf, 10GB,2.rwf, 10GB,3.rwf, 10GB...
I hope that will help you
Good luck
Bonoit
--- En date de : Mar 17.5.11, John McKelvey jmmckel{= :}gmail.com <owner-chemistry(a)ccl.net> a =E9crit :
=

De: John McKelvey jmmckel{:}gmail.com <owner-c= hemistry(a)ccl.net>
Objet: CCL:G: Use of Ram Disk
=C0: "Bonoir, Bono= ir " <bonoit_10(a)yahoo.fr>
Date: Mardi 17 mai 2011, 16h25
Folks,

Has anyone successfully used linux ram= -disk, /dev/shm, for Gaussian RW files?

John

-- <= BR>John McKelvey
10819 Middleford Pl
Ft Wayne, IN 46818
260-489-21= 60
jmmckel-,-gmail.com
--0-2082001026-1306307066=:83072-- From owner-chemistry@ccl.net Wed May 25 03:41:00 2011 From: "=?ISO-8859-1?Q?Xevi_Biarn=E9s?= xevibiarnes#gmail.com" To: CCL Subject: CCL: CPMD2011: early bird registration ends in one week Message-Id: <-44743-110524110243-25433-t9c+wMkFtzPS/dQisBe5vw###server.ccl.net> X-Original-From: =?ISO-8859-1?Q?Xevi_Biarn=E9s?= Content-Type: multipart/alternative; boundary=0015175cf8d4b0c57204a406e092 Date: Tue, 24 May 2011 17:02:33 +0200 MIME-Version: 1.0 Sent to CCL by: =?ISO-8859-1?Q?Xevi_Biarn=E9s?= [xevibiarnes[a]gmail.com] --0015175cf8d4b0c57204a406e092 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable Dear colleagues, The preliminary program for the CPMD2011 conference in Barcelona (Extending the limits of ab initio molecular dynamics simulations for Chemistry, Materials Science and Biophysics, Sept 5-9) is already available at the conference web page: http://www.pcb.ub.es/cpmd2011< http://www.pcb.ub.es/cpmd2011> This is the last week for early bird registration! All applications receive= d after May 31th will be subjected to a fee increase. Sincerely, The CPMD2011 organizing committee --=20 Carme Rovira ICREA / Parc Cient=EDfic de Barcelona Baldiri Reixac 10-12 08028 Barcelona, Spain Tel +34 934037112 crovira-x-pcb.ub.es http://www.pcb.ub.es/sqpbio --0015175cf8d4b0c57204a406e092 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable Dear colleagues,

The pr= eliminary program for the CPMD2011 conference in Barcelona (Extending the l= imits of ab initio molecular dynamics simulations for Chemistry, Materials = Science and Biophysics, Sept 5-9) is already available at the conference we= b page:=A0http://www.pcb.ub.es/cpmd2011<http://www.pcb.ub.es/cpmd2011>

This is the last week for early bird registration! All applications rec= eived after May 31th will be subjected to a fee increase.

Sincerely,=

The CPMD2011 organizing committee


--=A0
Carme Rovira
ICREA / Parc Cient=EDfic de Barcelona
Baldi= ri Reixac 10-12
08028 Barcelona, Spain
Tel=A0+34 934037112
crovira-x-pcb.ub.es
http://www.pcb.= ub.es/sqpbio --0015175cf8d4b0c57204a406e092-- From owner-chemistry@ccl.net Wed May 25 07:22:00 2011 From: "JL jeffrey.lebowski__gmx.de" To: CCL Subject: CCL: AW: Free energy of solvation Message-Id: <-44744-110525071424-17516-23DHtfsdS4rk8aDhoEzzpg|a|server.ccl.net> X-Original-From: "JL" Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset="iso-8859-1" Date: Wed, 25 May 2011 13:14:10 +0200 MIME-Version: 1.0 Sent to CCL by: "JL" [jeffrey.lebowski#%#gmx.de] Dear Andreas Sorry to bother you one more (and hopefully last) time! Thanks very much for the paper you cited in your last mail!!! Although it is really easily and clearly described I just want to make sure that I understood it the right way. So for dummies: - To get the total free energy of my molecule in solution one should use eq. 1 of your paper, this means: - calculate on a high level of theory the free energy of the molecule in the gas phase. This includes ALL thermal AND ALL entropic corrections which come from vibrational AND rotational AND translational degrees of freedom - calculate the free energy of solvation via a CSM on the (low) level of theory on which the CSM was parametrized - add the gas-solution conversion term which amounts to ca. 7.9 kJ/mol or 0.082 eV at standard conditions (1 atm, 298 K) That is it. Right? The use of eq. 4 in that paper is disfavoured as the calculation of the first term (or two terms) [E(soln) + G(nes)] (I guess it should be E(soln) not E(solv), right?) on the (low) level of theory where the CSM was parametrized leads to low quality results. Right? But if one would use eq. 4 then the second term [DeltaG(corr_gas)] would cover ALL thermal AND entropic corrections (to the electronic energy) of the molecule in the gas phase which I get from the gas phase frequency calculation on a higher level of theory. It would also include ALL contributions from vibrational AND rotational AND translational degrees of freedom. Is that correct? Sorry for the inconvenience and ongoing annoyance and many thanks in advance!!! Cheers! -----Ursprüngliche Nachricht----- Von: owner-chemistry+jeffrey.lebowski==gmx.de.|a|.ccl.net [mailto:owner-chemistry+jeffrey.lebowski==gmx.de.|a|.ccl.net] Im Auftrag von Andreas Klamt klamt- -cosmologic.de Gesendet: Dienstag, 24. Mai 2011 15:02 An: Doe, John Betreff: CCL: Free energy of solvation Sent to CCL by: Andreas Klamt [klamt!^!cosmologic.de] Hi John, hi Pierre, I need to contradict to some degree. As I mentioned several times, the vibrational, rotational and translational contributions in solutions are very hard to quantify due to the coupling of molecules. Hence I do not know where a value as 30% of gas-phase value in water comes from. I guess, nobody argues that the vibrational, rotational and translational contributions are small. The argument only is that they are empirically parameterized into all currently available solvation models, because these are parameterized against exp. data which include these effects. The situation is discussed in J Phys Chem A. 2010 Dec 30;114(51):13442-4. Comment on the correct use of continuum solvent models. Ho J, Klamt A, Coote ML. Regards Andreas Am 24.05.2011 13:42, schrieb Pierre Archirel pierre.archirel- -u-psud.fr: > Sent to CCL by: "Pierre Archirel" [pierre.archirel^-^u-psud.fr] > Dear John, > If you are calculating a difference the question is much simpler because entropy effects cancel out. Anyway: > 1- Considering that translation and rotation are simply quenched in solution is rather true for energies but completely wrong for entropies. In the vacuum the Sackur-Tetrode and rigid rotor formulas show that the TS contributions amount to (roughly) 0.4 eV (translation) and 0.4 eV (rotation) for a middle size molecule (these values only depend on the log of the mass), 0.8 eV in total therefore. In a condensed phase these contributions may take all the values between zero and the vacuum values. Zero is a plausible value in solids, I consider that in water 30% of the vacuum values is plausible, this amounts to .25 eV, this is not small! > 2- But you are looking for a difference! Your two isomers have the same mass and presumably inertial moments, close to each other. So the (large) entropy contributions from translation and rotation nicely cancel out and your formula DeltaG (in solution) = (G(B,gas_vib) + DeltaG(B,solv)) - (G(A,gas_vib) + DeltaG(A,solv)) eventually quite correct. > 3- as for vibrations their effect can be easily evaluated through harmonic analysis in the vacuum. > 4- I emphasize that translation and rotation entropies are not small in usual solvents. They are considered zero by people who do not know how to calculate them. > > Pierre Archirel > LCP, Universite Paris-Sud > France > pierre.archirel|u-psud.fr > > > -- PD. Dr. Andreas Klamt CEO / Geschäftsführer COSMOlogic GmbH& Co. KG Burscheider Strasse 515 D-51381 Leverkusen, Germany phone +49-2171-731681 fax +49-2171-731689 e-mail klamt_._cosmologic.de web www.cosmologic.de HRA 20653 Amtsgericht Koeln, GF: Dr. Andreas Klamt Komplementaer: COSMOlogic Verwaltungs GmbH HRB 49501 Amtsgericht Koeln, GF: Dr. Andreas Klamthttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt From owner-chemistry@ccl.net Wed May 25 07:56:00 2011 From: "hirdesh kumar hirdeshs8**gmail.com" To: CCL Subject: CCL: shell script books Message-Id: <-44745-110525072154-3391-DX3AaX60eHsf+zB3Ps0h8A_+_server.ccl.net> X-Original-From: hirdesh kumar Content-Type: multipart/alternative; boundary=20cf3054a65b02cfa704a417e937 Date: Wed, 25 May 2011 16:51:47 +0530 MIME-Version: 1.0 Sent to CCL by: hirdesh kumar [hirdeshs8 ~ gmail.com] --20cf3054a65b02cfa704a417e937 Content-Type: text/plain; charset=ISO-8859-1 Hi All, I am beginner to programming field, interested in learning the shell scripting. Please suggest me some good books. Thanks Hirdesh -- --20cf3054a65b02cfa704a417e937 Content-Type: text/html; charset=ISO-8859-1 Hi All,
I am beginner to programming field, interested in learning the shell scripting. Please suggest me some good books.

Thanks
Hirdesh

--

--20cf3054a65b02cfa704a417e937-- From owner-chemistry@ccl.net Wed May 25 09:00:00 2011 From: "Kshatresh Dutta Dubey kshatresh*|*gmail.com" To: CCL Subject: CCL: shell script books Message-Id: <-44746-110525085806-25192-lSavQdbgNqz9rAZl5pJVWQ]_[server.ccl.net> X-Original-From: Kshatresh Dutta Dubey Content-Type: multipart/alternative; boundary=0016364ec9a01a209a04a4194195 Date: Wed, 25 May 2011 18:28:00 +0530 MIME-Version: 1.0 Sent to CCL by: Kshatresh Dutta Dubey [kshatresh*gmail.com] --0016364ec9a01a209a04a4194195 Content-Type: text/plain; charset=ISO-8859-1 Hi.. U can take help of UNIX concepts and application, writer sumitabha das, publisher Macgraw hill. On Wed, May 25, 2011 at 4:51 PM, hirdesh kumar hirdeshs8**gmail.com < owner-chemistry.:.ccl.net> wrote: > Hi All, > I am beginner to programming field, interested in learning the shell > scripting. Please suggest me some good books. > > Thanks > Hirdesh > > -- > > -- ************************************************************************************************************************** Kshatresh Dutta Dubey Senior Research Fellow (SRF) Biophysics Unit, Department of Physics DDU Gorakhpur University --0016364ec9a01a209a04a4194195 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable
Hi..

U can take help of UNIX concepts and applicati= on, writer sumitabha das, publisher Macgraw hill.



On Wed, May 25, 2011 at 4:51 PM, hirdesh kumar hirdeshs8*= *gmail.com <owner-chemistry.:.ccl.net> = wrote:
Hi All,
I am beginner to programming fie= ld, interested in learning the shell scripting. Please suggest me some good= books.

Thanks
Hirdesh

--
=



--
**************************************************************************= ************************************************
Kshatresh Dutta Dubey Senior Research Fellow (SRF)
Biophysics Unit,
Department of PhysicsDDU Gorakhpur University

--0016364ec9a01a209a04a4194195-- From owner-chemistry@ccl.net Wed May 25 10:54:01 2011 From: "Vincent Leroux vincent.leroux^_^loria.fr" To: CCL Subject: CCL: shell script books Message-Id: <-44747-110525094020-30380-qNX4UiZ3bU6KY/VwEzfYwA|,|server.ccl.net> X-Original-From: Vincent Leroux Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Wed, 25 May 2011 15:40:10 +0200 MIME-Version: 1.0 Sent to CCL by: Vincent Leroux [vincent.leroux*loria.fr] Hi, This one is really excellent, I highly recommend it: Classic Shell Scripting Arnold Robbins, Nelson H.F. Beebe O'Reilly Regards VL Le 25/05/11 13:21, hirdesh kumar hirdeshs8**gmail.com a écrit : > Hi All, > I am beginner to programming field, interested in learning the shell > scripting. Please suggest me some good books. > > Thanks > Hirdesh > > -- > From owner-chemistry@ccl.net Wed May 25 12:02:00 2011 From: "Andras Borosy andras.borosy^^^givaudan.com" To: CCL Subject: CCL: shell script books Message-Id: <-44748-110525093456-27042-eu1NsLLR5OVtozQ9HU8dmg!=!server.ccl.net> X-Original-From: Andras Borosy Content-Type: multipart/alternative; boundary="=_alternative 004A95C2C125789B_=" Date: Wed, 25 May 2011 15:34:47 +0200 MIME-Version: 1.0 Sent to CCL by: Andras Borosy [andras.borosy_-_givaudan.com] This is a multipart message in MIME format. --=_alternative 004A95C2C125789B_= Content-Type: text/plain; charset="ISO-8859-1" Content-Transfer-Encoding: quoted-printable Unix Power Tools http://oreilly.com/catalog/9780596003302 Bestens, Dr. Andr=E1s P=E9ter Borosy Scientific Modelling Expert Fragrance Research Givaudan Schweiz AG - Ueberlandstrasse 138 - CH-8600 - D=FCbendorf -= =20 Switzerland T:+41-44-824 2164 - F:+41-44-8242926 - http://www.givaudan.com "hirdesh kumar hirdeshs8**gmail.com" =20 Sent by: owner-chemistry+andras.borosy=3D=3Dgivaudan.com-#-ccl.net 25.05.2011 13:21 Please respond to "CCL Subscribers" To "Borosy, Andras " cc Subject CCL: shell script books Hi All, I am beginner to programming field, interested in learning the shell=20 scripting. Please suggest me some good books. Thanks=20 Hirdesh --=20 --=_alternative 004A95C2C125789B_= Content-Type: text/html; charset="ISO-8859-1" Content-Transfer-Encoding: quoted-printable
Unix Power Tools

http://oreilly.com/catalog/978059600= 3302

Bestens,

Dr. Andr=E1s P=E9ter Borosy
Scientific Modelling Expert

Fragrance Research
Givaudan Schweiz AG  -  Ueberlandstrasse 138  -  CH-8600  -  D=FCbendorf  -  Switzerland
T:+41-44-824 2164  -  F:+41-44-8242926    -  http:= //www.givaudan.com



"hirdesh kumar h= irdeshs8**gmail.com" <owner-chemistry-#-ccl.net>
Sent by: owner-chemistry+andras.boro= sy=3D=3Dgivaudan.com-#-ccl.net

25.05.2011 13:21
Please respond to
"CCL Subscribers" <chemistry-#-ccl.net>
To
"Borosy, Andras " <andras.borosy-#-givaudan.com>
cc
Subject
CCL: shell script books




Hi All,
I am beginner to programming field, interested in learning the shell script= ing. Please suggest me some good books.

Thanks
Hirdesh

--

--=_alternative 004A95C2C125789B_=-- From owner-chemistry@ccl.net Wed May 25 14:50:00 2011 From: "=?ISO-8859-1?Q?Valent=EDn_Alba_Aparicio?= valentin.alba+*+pas.uned.es" To: CCL Subject: CCL: [CCL]Re: CCL: shell script books Message-Id: <-44749-110525130859-6445-qcpHddX1k7I+ZUpVu51Hfg:server.ccl.net> X-Original-From: =?ISO-8859-1?Q?Valent=EDn_Alba_Aparicio?= Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Wed, 25 May 2011 19:08:57 +0200 MIME-Version: 1.0 Sent to CCL by: =?ISO-8859-1?Q?Valent=EDn_Alba_Aparicio?= [valentin.alba-x-pas.uned.es] The term "shell scripting" involves multiple languages and tools: bash, cshell, awk, sed, perl... There are plenty of information available on the web, even on different languages. I suggest you to start up visiting http://tldp.org/ where you can find free books, guides, tutorials and howtos. Hope it helps! Val El 25/05/11 13:21, hirdesh kumar hirdeshs8**gmail.com escribió: > Hi All, > I am beginner to programming field, interested in learning the shell > scripting. Please suggest me some good books. > > Thanks > Hirdesh > > -- > From owner-chemistry@ccl.net Wed May 25 15:25:00 2011 From: "=?ISO-8859-1?Q?Valent=EDn_Alba_Aparicio?= valentin.alba-$-pas.uned.es" To: CCL Subject: CCL: shell script books Message-Id: <-44750-110525125919-8204-my73Je21t6eP4e5xM0fHQA###server.ccl.net> X-Original-From: =?ISO-8859-1?Q?Valent=EDn_Alba_Aparicio?= Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Wed, 25 May 2011 18:59:15 +0200 MIME-Version: 1.0 Sent to CCL by: =?ISO-8859-1?Q?Valent=EDn_Alba_Aparicio?= [valentin.alba-#-pas.uned.es] The term "shell scripting" involve multiple languages and tools: bash, cshell, awk, sed, perl... There are plenty of information available on the web, even on different languages. I suggest you to start up visiting the following URL: http://tldp.org/ where you can find free books, guides, tutorials and howtos. Hope it helps! Val El 25/05/11 13:21, hirdesh kumar hirdeshs8**gmail.com escribió: > Hi All, > I am beginner to programming field, interested in learning the shell > scripting. Please suggest me some good books. > > Thanks > Hirdesh > > -- > From owner-chemistry@ccl.net Wed May 25 16:17:00 2011 From: "Joe Golab joseph.golab]=[ineos.com" To: CCL Subject: CCL:G: Spectral Deconvolution Software Message-Id: <-44751-110525161523-30503-bN8KhTcrkDmxcQivMBHkDw[#]server.ccl.net> X-Original-From: "Joe Golab" Date: Wed, 25 May 2011 16:15:21 -0400 Sent to CCL by: "Joe Golab" [joseph.golab*|*ineos.com] I am looking for a program (share/ freeware would be ideal) that can do non-linear curve fitting to X-Y data. Specifically, I want to deconvolute a curve (like UV-Vis absorbance data) into component Gaussian curves. If there is an application that has been developed for MathCad, I could use that; reliable applications on the web would be okay as well. I am not looking for a (costly) spectroscopy software suite, just the curve fitting part. Suggestions are appreciated. Thanks. Joe Golab Senior Research Associate INEOS Technologies, Nitriles R&D Email: Joseph.Golab_at_ineos.com From owner-chemistry@ccl.net Wed May 25 17:18:00 2011 From: "Arne Dieckmann adieckma|a|googlemail.com" To: CCL Subject: CCL:G: Spectral Deconvolution Software Message-Id: <-44752-110525171732-22391-kukm6KBEKmjJfHwEeDEoig%x%server.ccl.net> X-Original-From: "Arne Dieckmann" Content-Disposition: inline Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset="utf-8" Date: 25 May 2011 23:17:21 +0200 MIME-Version: 1.0 Sent to CCL by: "Arne Dieckmann" [adieckma__googlemail.com] xmgrace can do non-linear curve-fitting and it is free. Cheers, Arne ----------------------- Arne Dieckmann Organic Chemistry I Ruhr-University Bochum email: adieckma+/-googlemail.com http://www.ruhr-uni-bochum.de/oc1/mitarbeiter/Arne-Dieckmann.html On Wednesday, May 25, 2011 at 10:15 PM, Joe Golab joseph.golab]=[ineos.com wrote: > > Sent to CCL by: "Joe Golab" [joseph.golab*|*ineos.com] > I am looking for a program (share/ freeware would be ideal) that can do non-linear curve fitting to X-Y data. > > Specifically, I want to deconvolute a curve (like UV-Vis absorbance data) into component Gaussian curves. > > If there is an application that has been developed for MathCad, I could use that; reliable applications on the web would be okay as well. > > I am not looking for a (costly) spectroscopy software suite, just the curve fitting part. > > Suggestions are appreciated. > > Thanks. > > Joe Golab > Senior Research Associate > INEOS Technologies, Nitriles R&D > Email: Joseph.Golab_at_ineos.com> From owner-chemistry@ccl.net Wed May 25 18:07:00 2011 From: "Karen.Green:_:sanofi-aventis.com" To: CCL Subject: CCL:G: for general case, try R with finite mixture modules RE: G: Spectral Deconvolution Software Message-Id: <-44753-110525180518-15521-ndv3qeih0h67/N+8t+b8AA(~)server.ccl.net> X-Original-From: Content-class: urn:content-classes:message Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset="us-ascii" Date: Wed, 25 May 2011 15:05:09 -0700 MIME-Version: 1.0 Sent to CCL by: [Karen.Green#%#sanofi-aventis.com] Dear Joe, You will probably get better / spectroscopy-specific software recommendations, but for the general problem you could use the (free) R statistical programming language [http://www.r-project.org/] with the finite mixture modeling module(s) (for example, mclust). The downside is that R is not easy to learn initially but very powerful once you do. An excellent reference is: Finite Mixture Models (Wiley Series in Probability and Statistics) by Geoffrey McLachlan & David Peel I have never worked in the free Octave [http://www.gnu.org/software/octave/](close to MathCad) but maybe they have a package for finite mixture modeling Hope the information helps. Karen -----Original Message----- > From: owner-chemistry+karen.green==sanofi-aventis.com^_^ccl.net [mailto:owner-chemistry+karen.green==sanofi-aventis.com^_^ccl.net] On Behalf Of Joe Golab joseph.golab]=[ineos.com Sent: Wednesday, May 25, 2011 1:15 PM Subject: CCL:G: Spectral Deconvolution Software Sent to CCL by: "Joe Golab" [joseph.golab*|*ineos.com] I am looking for a program (share/ freeware would be ideal) that can do non-linear curve fitting to X-Y data. Specifically, I want to deconvolute a curve (like UV-Vis absorbance data) into component Gaussian curves. If there is an application that has been developed for MathCad, I could use that; reliable applications on the web would be okay as well. I am not looking for a (costly) spectroscopy software suite, just the curve fitting part. Suggestions are appreciated. Thanks. Joe Golab Senior Research Associate INEOS Technologies, Nitriles R&D Email: Joseph.Golab_at_ineos.comhttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt From owner-chemistry@ccl.net Wed May 25 19:00:00 2011 From: "Alejandro Velazquez mesientovivo{=}hotmail.com" To: CCL Subject: CCL: Spectral Deconvolution Software Message-Id: <-44754-110525185746-27152-RhFH3EqNlvZQBgR1s3OyuQ:+:server.ccl.net> X-Original-From: "Alejandro Velazquez" Date: Wed, 25 May 2011 18:57:44 -0400 Sent to CCL by: "Alejandro Velazquez" [mesientovivo * hotmail.com] SciDavis can do non-linear curve-fit. It is free and available for linux, windows, and Mac-Os http://scidavis.sourceforge.net/