From owner-chemistry@ccl.net Thu Feb 15 11:18:01 2018 From: "Vera Krewald v.krewald++bath.ac.uk" To: CCL Subject: CCL: Quantum Bio-Inorganic Chemistry Conference: registration open Message-Id: <-53178-180215060224-27005-MZ732kqUyE/FTta659nByA|,|server.ccl.net> X-Original-From: "Vera Krewald" Date: Thu, 15 Feb 2018 06:02:22 -0500 Sent to CCL by: "Vera Krewald" [v.krewald{}bath.ac.uk] Dear all, We would like to announce that registration for the Quantum Bio-Inorganic Chemistry IV conference is now open. QBIC-IV, taking place from September 3-6 2018 at the University of Bath, will focus on computational inorganic and bioinorganic chemistry including emerging theoretical methods and novel applications. We are honoured to have secured a number of outstanding invited speakers: Jochen Blumberger, University College London Serena DeBeer, MPI for Chemical Energy Conversion, Muelheim an der Ruhr Odile Eisenstein, University of Montpellier Leticia Gonzalez, University of Vienna Jeremy Harvey, KU Leuven Lynn Kamerlin, Uppsala University Sandra Luber, University of Zuerich Stuart Macgregor, Heriot-Watt University, Edinburgh Dimitrios A. Pantazis, MPI for Chemical Energy Conversion, Muelheim an der Ruhr Clotilde Policar, Ecole Normale Superieure, Paris Mariusz Radon, Jagiellonian University, Krakow Markus Reiher, ETH Zuerich Kristine Pierloot, KU Leuven Ursula Roethlisberger, EPF Lausanne Lubomir Rulisek, Academy of Sciences of the Czech Republic Ulf Ryde, Lund University Per Siegbahn, Stockholm University Marcel Swart, University of Girona Our programme includes ample space for contributed talks and a big poster session that will be available throughout the conference poster prizes and awards for the best PhD talks are supported by Chem. Sci., PCCP and Dalton Trans.! Abstract submission will close on March 16th, and contributed speakers will be notified before the early bird registration deadline. Early bird registration is available until April 1st (GBP390, student rate GBP220), and includes hot lunches, morning and afternoon refreshments, and the conference dinner. We offer on-campus accommodation at competitive rates (GBP54 standard en-suite, GBP62 premium en-suite), available between Friday 31.08.2018 and Sunday, 09.09.2018. 3D views of the rooms are available on our website: https://sites.google.com/site/qbiciv/ We are supported by the Dalton Division of the Royal Society of Chemistry and the Chemical Computing Group. We are looking forward to welcoming you to the beautiful city of Bath in September! With best wishes, the organising committee: Vera Krewald, University of Bath Rob Deeth, University of Bath Claire McMullin, University of Bath Ulf Ryde, Lund University Lubomr Rulek, IOCB, Czech Academy of Sciences https://sites.google.com/site/qbiciv/ From owner-chemistry@ccl.net Thu Feb 15 11:53:01 2018 From: "Gozde YALCIN yalcingozde88|-|gmail.com" To: CCL Subject: CCL:G: How can I solve the error message #2070 in gaussian 03? Message-Id: <-53179-180215081157-1072-pNhmntXPTuOr6ODLLFC6aQ##server.ccl.net> X-Original-From: "Gozde YALCIN" Date: Thu, 15 Feb 2018 08:11:55 -0500 Sent to CCL by: "Gozde YALCIN" [yalcingozde88++gmail.com] Dear all gaussian 03 users; I am very sorry to disturb you with this question. But I try every options and couldn't found the reason what I get this message. I would like to use RADII=BONDI with IEFPCM solvation for trans-4- Methylcyclohexanol. I am using for optimization B3LYP/6-31G(d) or B3LYP/6-311+G(2d,p) methods (I tried both of them). But I get this error in below: # opt b3lyp/6-31g(d) scrf=(iefpcm,solvent=chloroform,read) geom=connec tivity radii=bondi ---------------------------------------------------------------------- QPERR --- A SYNTAX ERROR WAS DETECTED IN THE INPUT LINE. D) GEOM=CONNECTIVITY RADII=BONDI ' Last state="GCL" TCursr= 1020 LCursr= 77 Error termination via Lnk1e in C:\G03W\l1.exe at Wed Feb 14 14:38:52 2018. Job cpu time: 0 days 0 hours 0 minutes 0.0 seconds. File lengths (MBytes): RWF= 7 Int= 0 D2E= 0 Chk= 12 Scr= 1 Could anyone help me to understand the reason of this error? Thank you for your attention. From owner-chemistry@ccl.net Thu Feb 15 14:14:00 2018 From: "Close, David M. CLOSED**mail.etsu.edu" To: CCL Subject: CCL:G: How can I solve the error message #2070 in gaussian 03? Message-Id: <-53180-180215141135-30854-SyRiFbMDgTgNYq5qCWjzkw-$-server.ccl.net> X-Original-From: "Close, David M." Content-Language: en-US Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset="us-ascii" Date: Thu, 15 Feb 2018 19:11:28 +0000 MIME-Version: 1.0 Sent to CCL by: "Close, David M." [CLOSED^mail.etsu.edu] Gozde: I am pretty sure that the last part of the # line has radii=bondi. But you have requested a read in the scf input. Therefore you have to move the radii=bondi to the bottom of the input file and make sure to skip a line before the radii=bondi. Regards, Dave Close -----Original Message----- > From: owner-chemistry+closed==etsu.edu,+,ccl.net [mailto:owner-chemistry+closed==etsu.edu,+,ccl.net] On Behalf Of Gozde YALCIN yalcingozde88|-|gmail.com Sent: Thursday, February 15, 2018 8:12 AM To: Close, David M. Subject: CCL:G: How can I solve the error message #2070 in gaussian 03? Sent to CCL by: "Gozde YALCIN" [yalcingozde88++gmail.com] Dear all gaussian 03 users; I am very sorry to disturb you with this question. But I try every options and couldn't found the reason what I get this message. I would like to use RADII=BONDI with IEFPCM solvation for trans-4- Methylcyclohexanol. I am using for optimization B3LYP/6-31G(d) or B3LYP/6-311+G(2d,p) methods (I tried both of them). But I get this error in below: # opt b3lyp/6-31g(d) scrf=(iefpcm,solvent=chloroform,read) geom=connec tivity radii=bondi ---------------------------------------------------------------------- QPERR --- A SYNTAX ERROR WAS DETECTED IN THE INPUT LINE. D) GEOM=CONNECTIVITY RADII=BONDI ' Last state="GCL" TCursr= 1020 LCursr= 77 Error termination via Lnk1e in C:\G03W\l1.exe at Wed Feb 14 14:38:52 2018. Job cpu time: 0 days 0 hours 0 minutes 0.0 seconds. File lengths (MBytes): RWF= 7 Int= 0 D2E= 0 Chk= 12 Scr= 1 Could anyone help me to understand the reason of this error? Thank you for your attention.https://linkprotect.cudasvc.com/url?a=http://www.ccl.net/cgi-bin/ccl/send_ccl_message&c=E,1,pLr52op3QcG39VaWW8S6_87-F0qi3vhvA50aC3dSBtyublyUcHsq9IiIOUsECqfd1laYWTkQAqBSMSVj5w5IuxO6VrOajJFOWGzkS1Upn9bc62hZ1IO6&typo=1https://linkprotect.cudasvc.com/url?a=http://www.ccl.net/cgi-bin/ccl/send_ccl_message&c=E,1,cL5JQoCiJoborPuURxKCVwMMFal5aEE-pAAADZ7imTC7uJx9igOeqKguam6d2nE9fe68CruciSywRbzPOGyuouubipa_yv4CxCN578hF37egEdE4MMW9eM18&typo=1https://linkprotect.cudasvc.com/url?a=http://www.ccl.net/chemistry/sub_unsub.shtml&c=E,1,ar5hH4bEJoe79PaMSBHcn9GPVxucAABdZKqqBrszQQ0h678yZ3iTeLsE1-iY3s2g7RPwNfPTdw-bTFrJY-dRUWUO0MevXIZKnOJs5Xmdgg,,&typo=1 Before posting, check wait time at: https://linkprotect.cudasvc.com/url?a=http://www.ccl.net&c=E,1,1eH-MLfx5vau7Z0xCv09PSFtejN3R_SoweQjmIa_39GlV1Muke0uxSd2lkF3glfrFtxikHr079R06N36i0Yb14ChrVXxmI8IG17obuJsGL8H-dqqIKPRkgKCgO1E&typo=1 Job: https://linkprotect.cudasvc.com/url?a=http://www.ccl.net/jobs&c=E,1,w-XyFhfD2oFNVxUn_HArBmTDuZ5P29WSxaxZZbmCWtYu-lfBWsRS8d9y05GD0I-0SR0-N5q3KHWA0yVJ7s28QPFRyXkDZBplbvpaNhwtr12zSQ,,&typo=1 Conferences: https://linkprotect.cudasvc.com/url?a=http://server.ccl.net/chemistry/announcements/conferences/&c=E,1,iK1g6Li_yrz4wb2mli_2WnOjrF6MyHlUnflM6wQOlu-IvaHbON9XGCD5pan0hThrytsAwt8Iz-IP__ybBQv8rZaRJwTSld3WxDfdaNezLL1BV2maIiU,&typo=1 Search Messages: https://linkprotect.cudasvc.com/url?a=http://www.ccl.net/chemistry/searchccl/index.shtml&c=E,1,k9WMm10Upg3Uj1oJy5ltHsa3KwpDCaHH7Em6J7WR2hZpzGALbLxcgO3GwRlk0pzt7BFtHgfASmclT_-FHpJfawq2BR86G6lG466nhpIjJVIvlc4xfQ,,&typo=1https://linkprotect.cudasvc.com/url?a=http://www.ccl.net/spammers.txt&c=E,1,w-eIrZKBTiPyiKcoxSFeOeHlqJOLBr3iYZegv0AP3-Y-2hd4nIONTJb8mTnhPEkaAQKBTXAO8FU_Za5225K-7z6Ilwdtdk_tWGOGpR7Ef2g,&typo=1 RTFI: https://linkprotect.cudasvc.com/url?a=http://www.ccl.net/chemistry/aboutccl/instructions/&c=E,1,yfJxVYM_0spjG8knvhk-6HTVxo9GCskUMpT5AzwFEhee7cBUkojbM5iuJOEoe9HAYxJt1Fk4LzyJatSQQ04zU1PS-EIagcg2O5hTxBy7Cw,,&typo=1 From owner-chemistry@ccl.net Thu Feb 15 15:50:00 2018 From: "Pamidighantam, Sudhakar pamidigs^^^iu.edu" To: CCL Subject: CCL: Free Workshop on Science Gateways for Molecular Scientists Message-Id: <-53181-180215154759-30721-sPFEEi2AzN259x+gsXAKzg%%server.ccl.net> X-Original-From: "Pamidighantam, Sudhakar" Content-Language: en-US Content-Type: multipart/alternative; boundary="_000_FC8A5728D1E946589E0215BC41EE3867iuedu_" Date: Thu, 15 Feb 2018 20:47:51 +0000 MIME-Version: 1.0 Sent to CCL by: "Pamidighantam, Sudhakar" [pamidigs ~ iu.edu] --_000_FC8A5728D1E946589E0215BC41EE3867iuedu_ Content-Type: text/plain; charset="us-ascii" Content-Transfer-Encoding: quoted-printable Dear Computational Chemists: We SGCI, along with MolSSI, are offering a free workshop for molecular scie= ntists at the upcoming American Chemical Society (ACS) National Meeting and= Expo. Please share the announcement below with those who might be interest= ed. Thanks very much, Sudhakar. Free Workshop on Science Gateways for Molecular Scientists The Science Gateways Community Institute= (SGCI) and the Molecular Sciences Software Institute (MolSSI) will offer a free one-day workshop on Tuesday, March 20, 2018, = > from 8 am - 5 pm during the American Chemical Society National Meeting and = Expo. The workshop is for those interested in expanding what they can do through = the use or creation of science gateways for molecular modeling, simulations= and analysis, and data-driven discovery. Science gateways are Web-based me= chanisms for delivering scientific software as a service for enabling scien= tific collaborations. The workshop will feature gateways, including the Mat= erials Project, Chem Compute, I-TASSER, a= nd SEAGrid, as well as instructions on how to build y= our own gateway. The workshop may be of particular interest to ACS attendees from the PHYS, = COMP, and INFO Divisions. For registration details and to learn more about the workshop: https://scie= ncegateways.org/acs2018 SGCI and MolSSI will also be at booth #249 at the ACS Expo. --_000_FC8A5728D1E946589E0215BC41EE3867iuedu_ Content-Type: text/html; charset="us-ascii" Content-ID: Content-Transfer-Encoding: quoted-printable Dear Computational Chemists:

We SGCI, along with MolSSI, are offering a free worksh= op for molecular scientists at the upcoming American Chemical Society (ACS)= National Meeting and Expo. Please share the announcement below with those = who might be interested.

Thanks very much,
Sudhakar.

Free Workshop on Science Gateways for Molecular Scientists


The Science Gateways Community Institute (SGCI) and the Molecular Sciences Software Institute (MolSSI) will offer a free one-day workshop on Tuesday, March 20, 2018, from 8 am - 5 pm during the American Chemical Society National Meeting and Expo.

The workshop is for those interested in expanding what they can do through the use or creation of sc= ience gateways for molecular modeling, simulations and analysis, and data-d= riven discovery. Science gateways are Web-based mechanisms for delivering scientific software as a = service for enabling scientific collaborations. The workshop will feature g= ateways, including the Materials Project, Chem Compute, I-TASSER<= /a>, and SEAGrid, as well as instructions on how to build your own gateway.

The workshop may be of particular interest to ACS attendees from the PHYS, COM= P, and INFO Divisions.

For registration details and to learn more about the workshop: https://sciencegateways.org/acs2018

SGCI and MolSSI will also be at booth #249 at the ACS Expo.

--_000_FC8A5728D1E946589E0215BC41EE3867iuedu_-- From owner-chemistry@ccl.net Thu Feb 15 16:25:01 2018 From: "dipankar roy theodip-.-gmail.com" To: CCL Subject: CCL:G: How can I solve the error message #2070 in gaussian 03? Message-Id: <-53182-180215161923-11327-caNEr/Scf9ADxwhjyM7LmA * server.ccl.net> X-Original-From: dipankar roy Content-Type: multipart/alternative; boundary="94eb2c1a68d8b122d9056546c723" Date: Thu, 15 Feb 2018 14:19:15 -0700 MIME-Version: 1.0 Sent to CCL by: dipankar roy [theodip ~~ gmail.com] --94eb2c1a68d8b122d9056546c723 Content-Type: text/plain; charset="UTF-8" Hi, Correct keyword arrangement is something like: # opt b3lyp/6-31g(d) scrf=(iefpcm,solvent=chloroform,read) geom=connectivity Title Charge Multip. Geometry Connectivity radii=bondi mind the line gap before radii=bondi at the end. best, Dipankar Roy ----------------------------------- Dipankar Roy *PhD* On Thu, Feb 15, 2018 at 12:11 PM, Close, David M. CLOSED**mail.etsu.edu < owner-chemistry!A!ccl.net> wrote: > > Sent to CCL by: "Close, David M." [CLOSED^mail.etsu.edu] > Gozde: > I am pretty sure that the last part of the # line has radii=bondi. But > you have requested a read in the scf input. Therefore you have to move the > radii=bondi to the bottom of the input file and make sure to skip a line > before the radii=bondi. > Regards, Dave Close > > -----Original Message----- > > From: owner-chemistry+closed==etsu.edu]=[ccl.net [mailto: > owner-chemistry+closed==etsu.edu]=[ccl.net] On Behalf Of Gozde YALCIN > yalcingozde88|-|gmail.com > Sent: Thursday, February 15, 2018 8:12 AM > To: Close, David M. > Subject: CCL:G: How can I solve the error message #2070 in gaussian 03? > > > Sent to CCL by: "Gozde YALCIN" [yalcingozde88++gmail.com] Dear all > gaussian 03 users; > > I am very sorry to disturb you with this question. But I try every options > and couldn't found the reason what I get this message. > > I would like to use RADII=BONDI with IEFPCM solvation for trans-4- > Methylcyclohexanol. I am using for optimization B3LYP/6-31G(d) or > B3LYP/6-311+G(2d,p) methods (I tried both of them). But I get this error in > below: > > # opt b3lyp/6-31g(d) scrf=(iefpcm,solvent=chloroform,read) geom=connec > tivity radii=bondi > ---------------------------------------------------------------------- > QPERR --- A SYNTAX ERROR WAS DETECTED IN THE INPUT LINE. > D) GEOM=CONNECTIVITY RADII=BONDI > ' > Last state="GCL" > TCursr= 1020 LCursr= 77 > Error termination via Lnk1e in C:\G03W\l1.exe at Wed Feb 14 14:38:52 2018. > Job cpu time: 0 days 0 hours 0 minutes 0.0 seconds. > File lengths (MBytes): RWF= 7 Int= 0 D2E= 0 Chk= 12 Scr= 1 > > Could anyone help me to understand the reason of this error? > Thank you for your attention.https://linkprotect. > cudasvc.com/url?a=http://www.ccl.net/cgi-bin/ccl/send_ccl_message&c=E,1, > pLr52op3QcG39VaWW8S6_87-F0qi3vhvA50aC3dSBtyublyUcHsq9I > iIOUsECqfd1laYWTkQAqBSMSVj5w5IuxO6VrOajJFOWGzkS1Upn9bc62hZ1I > O6&typo=1https://linkprotect.cudasvc.com/url?a=http://www. > ccl.net/cgi-bin/ccl/send_ccl_message&c=E,1,cL5JQoCiJoborPuURxKCVwMMFal5aE > E-pAAADZ7imTC7uJx9igOeqKguam6d2nE9fe68CruciSywRbzPOGyuouubipa_ > yv4CxCN578hF37egEdE4MMW9eM18&typo=1https://linkprotect. > cudasvc.com/url?a=http://www.ccl.net/chemistry/sub_unsub.shtml&c=E,1, > ar5hH4bEJoe79PaMSBHcn9GPVxucAABdZKqqBrszQQ0h678yZ3iTeLsE1- > iY3s2g7RPwNfPTdw-bTFrJY-dRUWUO0MevXIZKnOJs5Xmdgg,,&typo=1 > > Before posting, check wait time at: https://linkprotect.cudasvc. > com/url?a=http://www.ccl.net&c=E,1,1eH-MLfx5vau7Z0xCv09PSFtejN3R_ > SoweQjmIa_39GlV1Muke0uxSd2lkF3glfrFtxikHr079R06N36i0Yb14ChrVXxmI8IG17o > buJsGL8H-dqqIKPRkgKCgO1E&typo=1 > > Job: https://linkprotect.cudasvc.com/url?a=http://www.ccl.net/ > jobs&c=E,1,w-XyFhfD2oFNVxUn_HArBmTDuZ5P29WSxaxZZbmCWtYu- > lfBWsRS8d9y05GD0I-0SR0-N5q3KHWA0yVJ7s28QPFRyXkDZBplbvpaNhwtr12zSQ,,&typo=1 > Conferences: https://linkprotect.cudasvc.com/url?a=http://server.ccl. > net/chemistry/announcements/conferences/&c=E,1,iK1g6Li_yrz4wb2mli_ > 2WnOjrF6MyHlUnflM6wQOlu-IvaHbON9XGCD5pan0hThrytsAwt8Iz-IP__ > ybBQv8rZaRJwTSld3WxDfdaNezLL1BV2maIiU,&typo=1 > > Search Messages: https://linkprotect.cudasvc.com/url?a=http://www.ccl.net/ > chemistry/searchccl/index.shtml&c=E,1,k9WMm10Upg3Uj1oJy5ltHsa3KwpDCa > HH7Em6J7WR2hZpzGALbLxcgO3GwRlk0pzt7BFtHgfASmclT_- > FHpJfawq2BR86G6lG466nhpIjJVIvlc4xfQ,,&typo=1https:// > linkprotect.cudasvc.com/url?a=http://www.ccl.net/spammers.txt&c=E,1,w- > eIrZKBTiPyiKcoxSFeOeHlqJOLBr3iYZegv0AP3-Y-2hd4nIONTJb8mTnhPEkaAQKBTXAO8F > U_Za5225K-7z6Ilwdtdk_tWGOGpR7Ef2g,&typo=1 > > RTFI: https://linkprotect.cudasvc.com/url?a=http://www.ccl.net/ > chemistry/aboutccl/instructions/&c=E,1,yfJxVYM_0spjG8knvhk- > 6HTVxo9GCskUMpT5AzwFEhee7cBUkojbM5iuJOEoe9HAYxJt1Fk4LzyJatSQ > Q04zU1PS-EIagcg2O5hTxBy7Cw,,&typo=1> > > --94eb2c1a68d8b122d9056546c723 Content-Type: text/html; charset="UTF-8" Content-Transfer-Encoding: quoted-printable
Hi,
Corre= ct keyword arrangement is something like:

# opt b3lyp/6-31g(d) scrf=3D(iefpcm,solvent=3Dchloroform,read) geom=3D= connectivity
Title
Charge Multip.
Geometry
<= /div>Connectivity

radii=3Dbondi


mind the line gap before radii=3Dbondi at the end.

best,
Dipankar Roy







-------= ----------------------------
Dipankar Roy =C2=A0 =C2=A0PhD


On Thu, Feb 15, 2018 at 12:11 PM, Close, Dav= id M. CLOSED**mail.etsu.edu <o= wner-chemistry!A!ccl.net> wrote:

Sent to CCL by: "Close, David M." [CLOSED^mail.etsu.edu]
Gozde:
=C2=A0 I am pretty sure that the last part of the # line has radii=3Dbondi.= =C2=A0 But you have requested a read in the scf input.=C2=A0 Therefore you = have to move the radii=3Dbondi to the bottom of the input file and make sur= e to skip a line before the radii=3Dbondi.
=C2=A0 Regards, Dave Close

-----Original Message-----
> From: owner-chemistry+closed=3D=3Detsu.edu]=3D[ccl.net [mailto:owner-chemistry+closed=3D=3Detsu.edu]=3D[= ccl.net= ] On Behalf Of Gozde YALCIN yalcingozde88|-|gmail.com
Sent: Thursday, February 15, 2018 8:12 AM
To: Close, David M. <CLOSED]=3D[mail.etsu.edu>
Subject: CCL:G: How can I solve the error message #2070 in gaussian 03?


Sent to CCL by: "Gozde=C2=A0 YALCIN" [yalcingozde88++gmail.com] Dear a= ll gaussian 03 users;

I am very sorry to disturb you with this question. But I try every options = and couldn't found the reason what I get this message.

I would like to use RADII=3DBONDI with IEFPCM solvation for trans-4- Methyl= cyclohexanol. I am using for optimization B3LYP/6-31G(d) or
B3LYP/6-311+G(2d,p) methods (I tried both of them). But I get this error in=
below:

# opt b3lyp/6-31g(d) scrf=3D(iefpcm,solvent=3Dchloroform,read) geom=3D= connec tivity radii=3Dbondi
-----------------------------------------------------------------= -----
QPERR --- A SYNTAX ERROR WAS DETECTED IN THE INPUT LINE.
D) GEOM=3DCONNECTIVITY RADII=3DBONDI
'
Last state=3D"GCL"
TCursr=3D 1020 LCursr=3D 77
Error termination via Lnk1e in C:\G03W\l1.exe at Wed Feb 14 14:38:52 2018.<= br> Job cpu time: 0 days 0 hours 0 minutes 0.0 seconds.
File lengths (MBytes): RWF=3D 7 Int=3D 0 D2E=3D 0 Chk=3D 12 Scr=3D 1

Could anyone help me to understand the reason of this error?
Thank you for your attention.https://linkprotect.cudasvc.com/url?a=3Dhttp://www.ccl.n= et/cgi-bin/ccl/send_ccl_message&c=3DE,1,pLr52op3QcG39VaWW8S6_= 87-F0qi3vhvA50aC3dSBtyublyUcHsq9IiIOUsECqfd1laYWTkQAqBSMSVj5w5IuxO6VrOajJFOWGzkS1Upn9bc62hZ1IO6&typo=3D1https://linkprotect.cudasvc.com/url?a=3Dhttp://www.ccl.net/cgi-bin/ccl/send_ccl_me= ssage&c=3DE,1,cL5JQoCiJoborPuURxKCVwMMFal5aEE-pAAADZ7imT= C7uJx9igOeqKguam6d2nE9fe68CruciSywRbzPOGyuouubipa_yv4CxCN578hF37e= gEdE4MMW9eM18&typo=3D1https://linkprotect.cudasvc.com/url?a= =3Dhttp://www.ccl.net/chemistry/sub_unsub.shtml&c=3DE,1,= ar5hH4bEJoe79PaMSBHcn9GPVxucAABdZKqqBrszQQ0h678yZ3iTeLsE1-iY3s2g7= RPwNfPTdw-bTFrJY-dRUWUO0MevXIZKnOJs5Xmdgg,,&typo=3D1

Before posting, check wait time at: https:= //linkprotect.cudasvc.com/url?a=3Dhttp://www.ccl.net&c=3DE,1,= 1eH-MLfx5vau7Z0xCv09PSFtejN3R_SoweQjmIa_39GlV1Muke0uxSd2lkF3= glfrFtxikHr079R06N36i0Yb14ChrVXxmI8IG17obuJsGL8H-dqqIKPRkgKCgO1E&= amp;typo=3D1

Job: https://linkprotect.cudasvc.com/url?a= =3Dhttp://www.ccl.net/jobs&c=3DE,1,w-XyFhfD2oFNVxUn_HArBmTDuZ= 5P29WSxaxZZbmCWtYu-lfBWsRS8d9y05GD0I-0SR0-N5q3KHWA0yVJ7s28QPFRyXk= DZBplbvpaNhwtr12zSQ,,&typo=3D1
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--94eb2c1a68d8b122d9056546c723-- From owner-chemistry@ccl.net Thu Feb 15 20:05:00 2018 From: "Andrew Orry andy : molsoft.com" To: CCL Subject: CCL: Free Cheminformatics Webinar: Structure Activity Relationship Analysis Message-Id: <-53183-180215200257-9570-AbueUFCfBgGVGrnFCU2s8Q^-^server.ccl.net> X-Original-From: "Andrew Orry" Date: Thu, 15 Feb 2018 20:02:54 -0500 Sent to CCL by: "Andrew Orry" [andy:+:molsoft.com] Dear All, Please join us next week for a free webinar on the subject of Structure Activity Relationship Analysis. Register here: https://register.gotowebinar.com/register/5523400348513296641 Webinar Topics Include: - R-Group decomposition by a scaffold - 2D SAR analysis - Matched Pair Analysis - Structure-Activity Landscape Analysis (SALI Guha & Van Drie J. Chem. Inf. Model., 2008) - 2D Bioisotere Prediction All participants receive a 30 day ICM-Chemist http://www.molsoft.com/icm- chemist.html software license.