From owner-chemistry@ccl.net Fri Mar 6 01:26:01 2009 From: "Maurizzio m.argonni[]gmail.com" To: CCL Subject: CCL:G: QM/MM question Message-Id: <-38766-090306010904-11713-cXrf0+yYosJwJg32kxlvPQ-.-server.ccl.net> X-Original-From: Maurizzio Content-Type: multipart/alternative; boundary=00151750e0b490a51004646d1ee0 Date: Fri, 6 Mar 2009 01:08:53 -0500 MIME-Version: 1.0 Sent to CCL by: Maurizzio [m.argonni(~)gmail.com] --00151750e0b490a51004646d1ee0 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: 7bit Dear CCL'ers: I would like to perform some QM/MM calculations but I don't seem to be able to find adequate software for it that is free for academic use. Are the choices really so limited? So far, I am aware of GAMESS interfaced to a very dated version of Tinker and then QMMM software from Dr. Truhlar's lab that is able to use also GAMESS and Tinker albeit in a limited way because of limitations in GAMESS. I have no money to pay for Gaussian or Schrodinger's Qsite and I sort of refuse to pay 500 UK Pounds for Chemshell on the basis that I am not British (not to mention that most of the software they use as a base for theirs is free and/or developed elsewhere). Anyway, I would appreciate any insights into what choices I have for QM/MM software that would allow me to do calculations like geometry optimizations, transition states, etc. in protein systems. Thanks for the help! Maurizzio --00151750e0b490a51004646d1ee0 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable Dear CCL'ers:

I would like to perform some QM/MM calculations bu= t I don't seem to be able to find adequate software for it that is free= for academic use. Are the choices really so limited? So far, I am aware of= GAMESS interfaced to a very dated version of Tinker and then QMMM software= from Dr. Truhlar's lab that is able to use also GAMESS and Tinker albe= it in a limited way because of limitations in GAMESS.

I have no money to pay for Gaussian or Schrodinger's Qsite and I so= rt of refuse to pay 500 UK Pounds for Chemshell on the basis that I am not = British (not to mention that most of the software they use as a base for th= eirs is free and/or developed elsewhere).

Anyway, I would appreciate any insights into what choices I have for=A0= QM/MM software that would allow me to do calculations like geometry optimi= zations, transition states, etc. in protein systems. Thanks for the help!
Maurizzio

=A0
--00151750e0b490a51004646d1ee0-- From owner-chemistry@ccl.net Fri Mar 6 05:47:03 2009 From: "servaas servaas.michielssens ~~ student.kuleuven.be" To: CCL Subject: CCL:G: QM/MM question Message-Id: <-38767-090306043434-10863-pzT5OgVGz/sw5S9TD+XpSQ__server.ccl.net> X-Original-From: servaas Content-Transfer-Encoding: 7bit Content-Type: text/plain Date: Fri, 06 Mar 2009 09:38:53 +0100 Mime-Version: 1.0 Sent to CCL by: servaas [servaas.michielssens],[student.kuleuven.be] Gromacs can do what you need: http://wwwuser.gwdg.de/~ggroenh/qmmm.html, it has an interface to free QM sofware (like gamess and mopac). kind regards, Servaas On Fri, 2009-03-06 at 01:08 -0500, Maurizzio m.argonni[]gmail.com wrote: > Dear CCL'ers: > > I would like to perform some QM/MM calculations but I don't seem to be > able to find adequate software for it that is free for academic use. > Are the choices really so limited? So far, I am aware of GAMESS > interfaced to a very dated version of Tinker and then QMMM software > from Dr. Truhlar's lab that is able to use also GAMESS and Tinker > albeit in a limited way because of limitations in GAMESS. > > I have no money to pay for Gaussian or Schrodinger's Qsite and I sort > of refuse to pay 500 UK Pounds for Chemshell on the basis that I am > not British (not to mention that most of the software they use as a > base for theirs is free and/or developed elsewhere). > > Anyway, I would appreciate any insights into what choices I have for > QM/MM software that would allow me to do calculations like geometry > optimizations, transition states, etc. in protein systems. Thanks for > the help! > > Maurizzio > > From owner-chemistry@ccl.net Fri Mar 6 06:03:02 2009 From: "Ramon Crehuet rcsqtc|a|iqac.csic.es" To: CCL Subject: CCL:G: QM/MM question Message-Id: <-38768-090306050437-14593-yN5LHyTbv55ahuMRNc5cMw]|[server.ccl.net> X-Original-From: Ramon Crehuet Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1 Date: Fri, 06 Mar 2009 10:06:57 +0100 MIME-Version: 1.0 Sent to CCL by: Ramon Crehuet [rcsqtc a iqac.csic.es] Dear Maurizzio, You could try Dynamo: It's not a program but a library of subroutines, but writing a program is as simple as colling a sequence of subroutines. It has a Fortran (outdated) version with semi-empirical methods and a Python version with semi-empiricals, DFT and an interface to Orca (also free). http://www.pdynamo.org Hope this helps! Ramon Maurizzio m.argonni[]gmail.com wrote: > Dear CCL'ers: > > I would like to perform some QM/MM calculations but I don't seem to be > able to find adequate software for it that is free for academic use. Are > the choices really so limited? So far, I am aware of GAMESS interfaced > to a very dated version of Tinker and then QMMM software from Dr. > Truhlar's lab that is able to use also GAMESS and Tinker albeit in a > limited way because of limitations in GAMESS. > > I have no money to pay for Gaussian or Schrodinger's Qsite and I sort of > refuse to pay 500 UK Pounds for Chemshell on the basis that I am not > British (not to mention that most of the software they use as a base for > theirs is free and/or developed elsewhere). > > Anyway, I would appreciate any insights into what choices I have for > QM/MM software that would allow me to do calculations like geometry > optimizations, transition states, etc. in protein systems. Thanks for > the help! > > Maurizzio > > From owner-chemistry@ccl.net Fri Mar 6 06:06:02 2009 From: "Rodrigo Casasnovas rodrigo.casasnovas**gmail.com" To: CCL Subject: CCL:G: QM/MM question Message-Id: <-38769-090306051400-15474-JZAKDZ8elNIlZKjjCP0zdQ(!)server.ccl.net> X-Original-From: Rodrigo Casasnovas Content-Type: multipart/alternative; boundary=001636c599a3a6b1fa04646f8c1a Date: Fri, 6 Mar 2009 10:02:50 +0100 MIME-Version: 1.0 Sent to CCL by: Rodrigo Casasnovas [rodrigo.casasnovas^-^gmail.com] --001636c599a3a6b1fa04646f8c1a Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: 7bit Hello Maurizzio, You can try with Dynamo, http://www.ibs.fr/ext/labos/LDM/projet6/welcome_fr.htm Hope you to be successful, Rodrigo Casasnovas 2009/3/6 Maurizzio m.argonni[]gmail.com > Dear CCL'ers: > > I would like to perform some QM/MM calculations but I don't seem to be able > to find adequate software for it that is free for academic use. Are the > choices really so limited? So far, I am aware of GAMESS interfaced to a very > dated version of Tinker and then QMMM software from Dr. Truhlar's lab that > is able to use also GAMESS and Tinker albeit in a limited way because of > limitations in GAMESS. > > I have no money to pay for Gaussian or Schrodinger's Qsite and I sort of > refuse to pay 500 UK Pounds for Chemshell on the basis that I am not British > (not to mention that most of the software they use as a base for theirs is > free and/or developed elsewhere). > > Anyway, I would appreciate any insights into what choices I have for QM/MM > software that would allow me to do calculations like geometry optimizations, > transition states, etc. in protein systems. Thanks for the help! > > Maurizzio > > > --001636c599a3a6b1fa04646f8c1a Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable Hello Maurizzio,

You can try with Dynamo, http://www.ibs.f= r/ext/labos/LDM/projet6/welcome_fr.htm

Hope you to be successful= ,

Rodrigo Casasnovas


2009/3/6 Mauri= zzio m.argonni[]gmail.com <owner-chemistry:ccl.net>
Dear CCL'ers:=

I would like to perform some QM/MM calculations but I don't see= m to be able to find adequate software for it that is free for academic use= . Are the choices really so limited? So far, I am aware of GAMESS interface= d to a very dated version of Tinker and then QMMM software from Dr. Truhlar= 's lab that is able to use also GAMESS and Tinker albeit in a limited w= ay because of limitations in GAMESS.

I have no money to pay for Gaussian or Schrodinger's Qsite and I so= rt of refuse to pay 500 UK Pounds for Chemshell on the basis that I am not = British (not to mention that most of the software they use as a base for th= eirs is free and/or developed elsewhere).

Anyway, I would appreciate any insights into what choices I have for=A0= QM/MM software that would allow me to do calculations like geometry optimi= zations, transition states, etc. in protein systems. Thanks for the help!
Maurizzio

=A0

--001636c599a3a6b1fa04646f8c1a-- From owner-chemistry@ccl.net Fri Mar 6 07:57:00 2009 From: "Antonio G. De Crisci antonio.decrisci##utoronto.ca" To: CCL Subject: CCL: Banquo atoms Vs. Dummy atoms Message-Id: <-38770-090306075236-11568-EI2S5DrtCvg9CH4RwNEIUg*server.ccl.net> X-Original-From: "Antonio G. De Crisci" Date: Fri, 6 Mar 2009 07:52:32 -0500 Sent to CCL by: "Antonio G. De Crisci" [antonio.decrisci[#]utoronto.ca] Hi all, Can someone tell me if ghost atoms (Bq) are as innocent as dummy atoms (X)? Im aware that Bq atoms dont have basis functions, but does this make it as innocent as dummy atoms? If so, why would you need Bq atoms? Thanks, Anthony From owner-chemistry@ccl.net Fri Mar 6 08:32:01 2009 From: "F. A. Pasha pashafa]=[yahoo.co.in" To: CCL Subject: CCL:G: QM/MM question Message-Id: <-38771-090306054448-19177-Rg7AWE5wGrpbwAxLYO2/Jw%a%server.ccl.net> X-Original-From: "F. A. Pasha" Date: Fri, 6 Mar 2009 05:44:42 -0500 Sent to CCL by: "F. A. Pasha" [pashafa]_[yahoo.co.in] Hi, You may try pDynamo which is free and good for QM/MM. This from our lab by M. J. Field. cheers > "Maurizzio m.argonni[]gmail.com" wrote: > > Sent to CCL by: Maurizzio [m.argonni(~)gmail.com] > --00151750e0b490a51004646d1ee0 > Content-Type: text/plain; charset=ISO-8859-1 > Content-Transfer-Encoding: 7bit > > Dear CCL'ers: > > I would like to perform some QM/MM calculations but I don't seem to be able > to find adequate software for it that is free for academic use. Are the > choices really so limited? So far, I am aware of GAMESS interfaced to a very > dated version of Tinker and then QMMM software from Dr. Truhlar's lab that > is able to use also GAMESS and Tinker albeit in a limited way because of > limitations in GAMESS. > > I have no money to pay for Gaussian or Schrodinger's Qsite and I sort of > refuse to pay 500 UK Pounds for Chemshell on the basis that I am not British > (not to mention that most of the software they use as a base for theirs is > free and/or developed elsewhere). > > Anyway, I would appreciate any insights into what choices I have for QM/MM > software that would allow me to do calculations like geometry optimizations, > transition states, etc. in protein systems. Thanks for the help! > > Maurizzio > > --00151750e0b490a51004646d1ee0 > Content-Type: text/html; charset=ISO-8859-1 > Content-Transfer-Encoding: quoted-printable > > Dear CCL'ers:

I would like to perform some QM/MM calculations bu= > t I don't seem to be able to find adequate software for it that is free= > for academic use. Are the choices really so limited? So far, I am aware of= > GAMESS interfaced to a very dated version of Tinker and then QMMM software= > from Dr. Truhlar's lab that is able to use also GAMESS and Tinker albe= > it in a limited way because of limitations in GAMESS.
>
I have no money to pay for Gaussian or Schrodinger's Qsite and I so= > rt of refuse to pay 500 UK Pounds for Chemshell on the basis that I am not = > British (not to mention that most of the software they use as a base for th= > eirs is free and/or developed elsewhere).
>
Anyway, I would appreciate any insights into what choices I have for=A0= > QM/MM software that would allow me to do calculations like geometry optimi= > zations, transition states, etc. in protein systems. Thanks for the help! r> >
Maurizzio

=A0
> > --00151750e0b490a51004646d1ee0-- > > From owner-chemistry@ccl.net Fri Mar 6 09:06:01 2009 From: "Johannes Hachmann jh388||cornell.edu" To: CCL Subject: CCL:G: G- How to retain the symmetry in a SCF calculation ? Message-Id: <-38772-090306084854-25927-wlj79LMFI3trGquUo5V6aQ..server.ccl.net> X-Original-From: "Johannes Hachmann" Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset="utf-8" Date: Fri, 6 Mar 2009 08:48:36 -0500 MIME-Version: 1.0 Sent to CCL by: "Johannes Hachmann" [jh388(0)cornell.edu] Hi John, obviously you are usually interested in the proper electronic ground = state - but being interested in e.g. spin gaps, or a comparison of the = electronic structure/orbital sets of different spin states, or in a = specific starting guess for a post-HF calculation (which happens to be = not the ground state) is not that far fetched... Then it doesn't really = help you if your calc always falls back on the ground state which has a = symmetry that's not of interest for you. Best Johannes=20 --------------------------------------------------------------- Johannes Hachmann (Dipl.-Chem., M.Sc.) Chan Research Group 140D Baker Laboratory Department of Chemistry and Chemical Biology Cornell University Ithaca, NY 14853-1301 USA --------------------------------------------------------------- > -----Original Message----- > From: owner-chemistry+jh388=3D=3Dcornell.edu(0)ccl.net=20 > [mailto:owner-chemistry+jh388=3D=3Dcornell.edu(0)ccl.net] On Behalf=20 > Of John McKelvey jmmckel__gmail.com > Sent: Thursday, March 05, 2009 12:12 PM > To: Hachmann, Johannes > Subject: CCL:G: G- How to retain the symmetry in a SCF calculation ? >=20 > Is the possibility of finding a symmetry of lower energy _all=20 > that bad_? I can think of an obvious reason why it would be=20 > beneficial.... >=20 > Cheers, >=20 > John McKelvey >=20 >=20 >=20 > On Wed, Mar 4, 2009 at 11:19 PM, Johannes Hachmann jh388 ~~=20 > cornell.edu wrote: >=20 >=20 >=20 > Sent to CCL by: "Johannes Hachmann" [jh388_._cornell.edu] > Hi Ding, > =09 > sorry, never ran into this problem. Note that you might=20 > have to try a number of orbital swaps to get to the=20 > wavefunction irrep you want. Also, in case you use the STABLE=20 > keyword, DO NOT use STABLE=3DOPT because that will likely bring=20 > you back to a more stable wavefunction of different symmetry. > =09 > Hope that helps > =09 > Best > =09 > Johannes > =09 > --------------------------------------------------------------- > Johannes Hachmann > (Dipl.-Chem., M.Sc.) > =09 > Chan Research Group > 140D Baker Laboratory > Department of Chemistry and Chemical Biology > Cornell University > Ithaca, NY 14853-1301 > USA > --------------------------------------------------------------- > =09 > > -----Original Message----- > > From: owner-chemistry+jh388=3D=3Dcornell.edu]|[ccl.net > > [mailto:owner-chemistry+jh388=20 > =3D=3Dcornell.edu]|[ccl.net] On = Behalf > > Of xunlei ding dingxunlei:_:gmail.com > > Sent: Wednesday, March 04, 2009 5:12 AM > > To: Hachmann, Johannes > > Subject: CCL:G: G- How to retain the symmetry in a=20 > SCF calculation ? > > > > > > Sent to CCL by: xunlei ding [dingxunlei|gmail.com]=20 > Dear Johannes, > > > > Sometimes scf=3DQC works but not always. > > I hope there be a better way for this problem. > > > > It seems that we can use IOP, as is described as: > > > > IOp(5/15) > > Apply Abelian symmetry constraints on orbitals. > > > > 0 Default (1 for L502, 2 for L501 and L506). > > 1 No. > > 2 Yes, keep occupation of each irrep the same as the > > initial guess. > > 3 Yes, keep overall wavefunction the same as=20 > the initial guess, > > but doing the minimal amount > > of orbital switching to accomplish this. > > 00 Default (use Abelian symmetry in diagonalization). > > 10 Use Abelian symmetry in diagonalization. > > 20 Do not use Abelian symmetry in diagonalization. > > > > But in my test, iop(5/15=3D2) doesn't work. > > > > Any more suggestions? > > > > Thanks a lot! > > > > Best regards, > > Ding > > > > > > > > 2009/2/13 Johannes Hachmann jh388[*]cornell.edu > > : > > > > > > Sent to CCL by: "Johannes Hachmann"=20 > [jh388!A!cornell.edu] Hi Ding, > > > > > > use SCF=3DQC (however quadratically convergent SCF is a bit > > costy...). > > > See description under > > http://www.gaussian.com/g_ur/k_guess.htm on the > > > bottom together with GUESS=3DALTER. This is not a > > particularly elegant > > > way to do things (compared to just specifying the=20 > state symmetry in > > > e.g. MOLPRO) but it works. You might want to use the STABLE > > option so > > > that you know whether you have instabilities to which other > > states and > > > which additional MO swaps you might want to perform. > > > > > > Best > > > > > > Johannes > > > > > >=20 > --------------------------------------------------------------- > > > Johannes Hachmann > > > (Dipl.-Chem., M.Sc.) > > > > > > Chan Research Group > > > 140D Baker Laboratory > > > Department of Chemistry and Chemical Biology=20 > Cornell University > > > Ithaca, NY 14853-1301 USA > > >=20 > --------------------------------------------------------------- > > >> -----Original Message----- > > >> From: owner-chemistry+jh388=3D=3Dcornell.edu[]ccl.net > > >> [mailto:owner-chemistry+jh388=20 > =3D=3Dcornell.edu[]ccl.net] On Behalf = Of > > >> xunlei ding dingxunlei::gmail.com > > >> Sent: Friday, February 13, 2009 3:42 AM > > >> To: Hachmann, Johannes > > >> Subject: CCL:G: G- How to retain the symmetry in a SCF > > calculation ? > > >> > > >> > > >> Sent to CCL by: xunlei ding=20 > [dingxunlei.:.gmail.com] Dear CCLers, > > >> > > >> In the manual of G03, the key word "SCF=3D Symm" is > > discribed as below: > > >> Retain all symmetry constraints: make the number of > > occupied orbitals > > >> of each symmetry type (abelian irreducible > > >> representation) match that of the initial guess. Use this > > option to > > >> retain a specific state of the wavefunction throughout the > > >> calculation. It is the default only for GVB calculations. > > >> > > >> But sometimes it doesn't work and the last state=20 > is different from > > >> the initial state. > > >> > > >> Could you give me more suggestions on how to retain the > > symmetry in a > > >> SCF calculation? > > >> > > >> Thanks! > > >> > > >> Best regards, > > >> Ding > > >> > > >> > > >> > > >> -=3D This is automatically added to each message 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> > > >> Conferences: > > >> http://server.ccl.net/chemistry/announcements/conferences/ > > >> > > >> Search Messages: http://www.ccl.net/htdig (login: ccl, > > >> Password: search)> > > >> > > > > > > > > > > > > -=3D This is automatically added to each message by the > > mailing script > > > =3D-> Search Messages: http://www.ccl.net/htdig (login: ccl, > > Password: > > > search)> > > > > > > > > > > > > > > -- > > ------------------------------------------------------ > > Xun-Lei Ding > > Associate Research Professor of Physical Chemistry State Key > > Lab for Struct. Chem. of Unstable and Stable Species > > Institute of Chemistry, The Chinese Academy of Sciences > > Zhongguancun North First Street 2=EF=BC=8C > > Beijing 100190, P. R. China > > Phone 86-10-62568330 > > Fax 86-10-62559373 > > > > > > > > -=3Dhis is automatically added to each message by the=20 > mailing script =3D > > To recover the email address of the author of the message, > > please change> > Conferences: > > http://server.ccl.net/chemistry/announcements/conferences/ > > > > > > > > =09 > =09 > =09 > - This is automatically added to each message by the=20 > mailing script - > To recover the email address of the author of the=20 > message, please change > the strange characters on the top line to the (0) sign.=20 > You can also> =09> =09> =09> =09> =09> Conferences:=20 > http://server.ccl.net/chemistry/announcements/conferences/ > =09 > Search Messages:=20 > http://www.ccl.net/chemistry/searchccl/index.shtml > =09> =09> =09 > =09 > =09 >=20 >=20 >=20 From owner-chemistry@ccl.net Fri Mar 6 09:42:01 2009 From: "Kamel Mansouri kamel_mansouri[]yahoo.fr" To: CCL Subject: CCL: openbabel Message-Id: <-38773-090306072302-8062-R9IKgfhLXSVbFefFAbb1WA~!~server.ccl.net> X-Original-From: Kamel Mansouri Content-Type: multipart/alternative; boundary="0-1062520092-1236338538=:93342" Date: Fri, 6 Mar 2009 11:22:18 +0000 (GMT) MIME-Version: 1.0 Sent to CCL by: Kamel Mansouri [kamel_mansouri%%yahoo.fr] --0-1062520092-1236338538=:93342 Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: quoted-printable hello every body, i'm trying to use openbabel to convert files from different formats, but i = didn't found any binary file for 32 byte i386, so i compiled the sources, b= ut still not able to run the program because of an unfound library and im g= etting this error message:=20 babel: error while loading shared libraries: libopenbabel.so.1: cannot open= shared object file: No such file or directory if some one already have a binary file or can give solution with this libra= ry,please help!!=20 thanx =0A=0A=0A --0-1062520092-1236338538=:93342 Content-Type: text/html; charset=utf-8 Content-Transfer-Encoding: quoted-printable
hello every body,
i'm trying to use openba= bel to convert files from different formats, but i didn't found any binary = file for 32 byte i386, so i compiled the sources, but still not able to run= the program because of an unfound library and im getting this error messag= e:
babel: error while loading shared libraries: libopenbabel.so.1: cann= ot open shared object file: No such file or directory

if some one al= ready have a binary file or can give solution with this library,please help= !!
thanx


=0A=0A=0A=0A --0-1062520092-1236338538=:93342-- From owner-chemistry@ccl.net Fri Mar 6 10:20:01 2009 From: "Xijun Wang iccsb2009],[gmail.com" To: CCL Subject: CCL: Call for Papers: IEEE-iCCSB2009 Message-Id: <-38774-090306074544-10787-6EcaXVDyVUTrvgKN6rN2Tg{:}server.ccl.net> X-Original-From: "Xijun Wang" Date: Fri, 6 Mar 2009 07:45:40 -0500 Sent to CCL by: "Xijun Wang" [iccsb2009^^^gmail.com] Dear Friend, You are invited to submit a full paper and attend iCCSB2009 (The international Conference on Computational and System Biology), to be hold at Shanghai, China, in Oct. 9-11th, 2009. The topics of iCCSB2009 include, but not limited to, (1) Systems biology (2) Structure and molecular modeling (3) Computational bio-nanoscience and bio-nanotechnology (4) Genomics, proteomics and metabolomics (5) Computational biology and environmental sciences The proceeding will be published by IEEE Xplorer, and indexed by EI. All paper submitted to iCCSB2009 will subject to peer review. Some selected papers will be published by Molecular Simulation and Interdisciplinary Sciences - Computational Life Sciences. A few important awards will be given during the conference, for example, "Achievement Awards on Computational Biology", "Young Computational Biologist Award". More than 40 leading scientists has confirmed their attendance(See list in attachment). Hopefully you could join us in Shanghai. Thank you for your attention. The deadline for paper submission is June 1st, 2009. More details of IEEE-iCCSB2009 could be found on http://iccsb2009.sjtu.edu.cn/ Sincerely yours, Organizing Committee C/O Department of Bioinformatics and Biostatistics College of Life Sciences and Biotechnology Shanghai Jiaotong University 800 Dongchuan Road, Minhang District Shanghai, 200240, China e-mail: dqwei---sjtu.edu.cn phone: 13918500529 From owner-chemistry@ccl.net Fri Mar 6 10:52:00 2009 From: "Herbert Fruchtl herbert.fruchtl+/-st-andrews.ac.uk" To: CCL Subject: CCL: Banquo atoms Vs. Dummy atoms Message-Id: <-38775-090306094403-20275-q+XsCNBNVF1FpHkD1ICebA::server.ccl.net> X-Original-From: Herbert Fruchtl Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1 Date: Fri, 06 Mar 2009 14:13:34 +0000 MIME-Version: 1.0 Sent to CCL by: Herbert Fruchtl [herbert.fruchtl]~[st-andrews.ac.uk] Ghost atoms do have basis functions, they just don't have electrons. You need them mainly for counterpoise calculations. HTH, Herbert Antonio G. De Crisci antonio.decrisci##utoronto.ca wrote: > Sent to CCL by: "Antonio G. De Crisci" [antonio.decrisci[#]utoronto.ca] > Hi all, > > Can someone tell me if ghost atoms (Bq) are as innocent as dummy atoms (X)? Im aware that Bq atoms dont have basis functions, but does this make it as innocent as dummy atoms? If so, why would you need Bq atoms? > > Thanks, > Anthony> > -- Herbert Fruchtl Senior Scientific Computing Officer School of Chemistry, School of Mathematics and Statistics University of St Andrews -- The University of St Andrews is a charity registered in Scotland: No SC013532 From owner-chemistry@ccl.net Fri Mar 6 11:26:01 2009 From: "Johannes Hachmann jh388,cornell.edu" To: CCL Subject: CCL: Banquo atoms Vs. Dummy atoms Message-Id: <-38776-090306095000-26740-bp19kU4CXFImbhAxlK1Mmw|a|server.ccl.net> X-Original-From: "Johannes Hachmann" Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset="US-ASCII" Date: Fri, 6 Mar 2009 09:49:42 -0500 MIME-Version: 1.0 Sent to CCL by: "Johannes Hachmann" [jh388(_)cornell.edu] Hi Anthony, the terms 'ghost atoms' and 'dummy atoms' are sometimes used interchangeably, but there are two distincted meanings: 'Dummy atoms' are often used as auxillary coordinate points for the specification of molecular geometries, constrained geometry optimizations, or use of molecular symmetry (think e.g. of a benzene z-matrix where there is no real atom at the inversion point), when this is otherwise more complicated with the naked molecule. The dummy atoms have no basis functions or any physical meaning, they just define additional (potentially useful) geometric variables as a mathematical tool. 'Ghost atoms' are often used for Basis Set Superposition Error (BSSE) corrections, where you have to place basis functions in space - their position is defined by ghost atoms. They don't have a charge and hence don't change the physics of the system, BUT since they provide basis functions they change the quantum mechanical description of the system and hence the computed results. (Don't mix this up with external point charges from e.g. QMMM!) Again, sometimes these terms are used the other way round. Hope that helps. Best Johannes --------------------------------------------------------------- Johannes Hachmann (Dipl.-Chem., M.Sc.) Chan Research Group 140D Baker Laboratory Department of Chemistry and Chemical Biology Cornell University Ithaca, NY 14853-1301 USA --------------------------------------------------------------- > -----Original Message----- > From: owner-chemistry+jh388==cornell.edu-x-ccl.net > [mailto:owner-chemistry+jh388==cornell.edu-x-ccl.net] On Behalf > Of Antonio G. De Crisci antonio.decrisci##utoronto.ca > Sent: Friday, March 06, 2009 7:53 AM > To: Hachmann, Johannes > Subject: CCL: Banquo atoms Vs. Dummy atoms > > > Sent to CCL by: "Antonio G. De Crisci" > [antonio.decrisci[#]utoronto.ca] Hi all, > > Can someone tell me if ghost atoms (Bq) are as innocent as > dummy atoms (X)? Im aware that Bq atoms dont have basis > functions, but does this make it as innocent as dummy atoms? > If so, why would you need Bq atoms? > > Thanks, > Anthony > > > > -= This is automatically added to each message by the mailing > script =- To recover the email address of the author of the > message, please change the strange characters on the top line > to the -x- sign. You can also look up the X-Original-From: line > in the mail header.> Conferences: > http://server.ccl.net/chemistry/announcements/conferences/> > From owner-chemistry@ccl.net Fri Mar 6 12:01:00 2009 From: "David Gallagher gallagher.da]_[gmail.com" To: CCL Subject: CCL:G: QM/MM question Message-Id: <-38777-090306102612-5305-3bMyOfKH7ok6n7Bjyh5K8g^_^server.ccl.net> X-Original-From: David Gallagher Content-Type: text/plain; charset="us-ascii"; format=flowed Date: Fri, 06 Mar 2009 07:25:56 -0800 Mime-Version: 1.0 Sent to CCL by: David Gallagher [gallagher.da/a\gmail.com] Hi Maurizzio, Another option to consider for "geometry optimizations, transition states, etc. in protein systems" would be the new MOPAC2009 quantum chemistry program. Its linear scaling algorithm can handle geometry optimizations of up to 15,000 atoms. The new PM6 method in MOPAC2009 was parameterized primarily for biological systems, and there is a bibliography at http://www.cacheresearch.com/mopac.html#mopac-support . MOPAC2009 is free for academic non-profit use. Good luck, David Gallagher CACheResearch.com At 10:08 PM 3/5/2009, Maurizzio m.argonni[]gmail.com wrote: >Dear CCL'ers: > >I would like to perform some QM/MM calculations but I don't seem to >be able to find adequate software for it that is free for academic >use. Are the choices really so limited? So far, I am aware of GAMESS >interfaced to a very dated version of Tinker and then QMMM software >from Dr. Truhlar's lab that is able to use also GAMESS and Tinker >albeit in a limited way because of limitations in GAMESS. > >I have no money to pay for Gaussian or Schrodinger's Qsite and I >sort of refuse to pay 500 UK Pounds for Chemshell on the basis that >I am not British (not to mention that most of the software they use >as a base for theirs is free and/or developed elsewhere). > >Anyway, I would appreciate any insights into what choices I have >for QM/MM software that would allow me to do calculations like >geometry optimizations, transition states, etc. in protein systems. >Thanks for the help! > >Maurizzio > > From owner-chemistry@ccl.net Fri Mar 6 12:37:00 2009 From: "errol lewars elewars()trentu.ca" To: CCL Subject: CCL: Banquo atoms Vs. Dummy atoms Message-Id: <-38778-090306104605-23354-BtWA30TPkRyyKhhiK5KjLw]![server.ccl.net> X-Original-From: errol lewars Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=us-ascii; format=flowed Date: Fri, 06 Mar 2009 10:46:03 -0500 MIME-Version: 1.0 Sent to CCL by: errol lewars [elewars::trentu.ca] 2009 March 06 Dummy atoms X are merely markers in a Z-matrix. Ghost atoms (or rather nuclei) Bq have spin and feel a magnetic field; they are thus used in NICS calculations as probes for aromaticity. There may be other differences which don't occur to me just now. E. Lewars ===== Antonio G. De Crisci antonio.decrisci##utoronto.ca wrote: >Sent to CCL by: "Antonio G. De Crisci" [antonio.decrisci[#]utoronto.ca] >Hi all, > >Can someone tell me if ghost atoms (Bq) are as innocent as dummy atoms (X)? Im aware that Bq atoms dont have basis functions, but does this make it as innocent as dummy atoms? If so, why would you need Bq atoms? > >Thanks, >Anthony> > > > From owner-chemistry@ccl.net Fri Mar 6 13:15:01 2009 From: "Marius Retegan marius.s.retegan_-_gmail.com" To: CCL Subject: CCL:G: QM/MM question Message-Id: <-38779-090306111639-16619-RG4R9l9ct8ALjU4UEF3lQg,server.ccl.net> X-Original-From: Marius Retegan Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset=ISO-8859-1 Date: Fri, 6 Mar 2009 16:44:56 +0100 MIME-Version: 1.0 Sent to CCL by: Marius Retegan [marius.s.retegan##gmail.com] You could also try cp2k (GPL licence) or Gromacs/CPMD interface http://comppsi.csuohio.edu/qmmm/ Marius On Fri, Mar 6, 2009 at 11:44 AM, F. A. Pasha pashafa]=3D[yahoo.co.in wrote: > > Sent to CCL by: "F. A. Pasha" [pashafa]_[yahoo.co.in] > Hi, > You may try pDynamo which is free and good for QM/MM. This from our lab b= y M. J. Field. > > cheers >> "Maurizzio m.argonni[]gmail.com" =A0wrote: >> >> Sent to CCL by: Maurizzio [m.argonni(~)gmail.com] >> --00151750e0b490a51004646d1ee0 >> Content-Type: text/plain; charset=3DISO-8859-1 >> Content-Transfer-Encoding: 7bit >> >> Dear CCL'ers: >> >> I would like to perform some QM/MM calculations but I don't seem to be a= ble >> to find adequate software for it that is free for academic use. Are the >> choices really so limited? So far, I am aware of GAMESS interfaced to a = very >> dated version of Tinker and then QMMM software from Dr. Truhlar's lab th= at >> is able to use also GAMESS and Tinker albeit in a limited way because of >> limitations in GAMESS. >> >> I have no money to pay for Gaussian or Schrodinger's Qsite and I sort of >> refuse to pay 500 UK Pounds for Chemshell on the basis that I am not Bri= tish >> (not to mention that most of the software they use as a base for theirs = is >> free and/or developed elsewhere). >> >> Anyway, I would appreciate any insights into what choices I have for =A0= QM/MM >> software that would allow me to do calculations like geometry optimizati= ons, >> transition states, etc. in protein systems. Thanks for the help! >> >> Maurizzio >> >> --00151750e0b490a51004646d1ee0 >> Content-Type: text/html; charset=3DISO-8859-1 >> Content-Transfer-Encoding: quoted-printable >> >> Dear CCL'ers:

I would like to perform some QM/MM calculations= bu=3D >> t I don't seem to be able to find adequate software for it that is f= ree=3D >> =A0for academic use. Are the choices really so limited? So far, I am awa= re of=3D >> =A0GAMESS interfaced to a very dated version of Tinker and then QMMM sof= tware=3D >> =A0from Dr. Truhlar's lab that is able to use also GAMESS and Tinker= albe=3D >> it in a limited way because of limitations in GAMESS.
>>
I have no money to pay for Gaussian or Schrodinger's Qsite and I= so=3D >> rt of refuse to pay 500 UK Pounds for Chemshell on the basis that I am n= ot =3D >> British (not to mention that most of the software they use as a base for= th=3D >> eirs is free and/or developed elsewhere).
>>
Anyway, I would appreciate any insights into what choices I have for= =3DA0=3D >> =A0QM/MM software that would allow me to do calculations like geometry o= ptimi=3D >> zations, transition states, etc. in protein systems. Thanks for the help= !> r> >>
Maurizzio

=3DA0
>> >> --00151750e0b490a51004646d1ee0-- >> >> > > > > -=3D This is automatically added to each message by the mailing script = =3D-> =A0 =A0 =A0http://www.ccl.net/cgi-bin/ccl/send_ccl_message> =A0 =A0 =A0http://www.ccl.net/cgi-bin/ccl/send_ccl_message> =A0 =A0 =A0http://www.ccl.net/chemistry/sub_unsub.shtml> =A0 =A0 =A0http://www.ccl.net/spammers.txt> > > From owner-chemistry@ccl.net Fri Mar 6 13:46:00 2009 From: "Jozsef Csontos jcsontos.lists/a\gmail.com" To: CCL Subject: CCL: Banquo atoms Vs. Dummy atoms Message-Id: <-38780-090306090602-8280-9HGAgNGX9ipmoLHTCIgmKw!A!server.ccl.net> X-Original-From: Jozsef Csontos Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=UTF-8 Date: Fri, 06 Mar 2009 14:57:51 +0100 MIME-Version: 1.0 Sent to CCL by: Jozsef Csontos [jcsontos.lists[*]gmail.com] Anthony, ghost atoms do have basis functions and nothing else is there. They are used in calculating the basis set superposition error (BSSE - google for it to get some basic information about it). Dummy atoms don't have anything but coordinates. They used to help define some geometrical parameters of a molecular geometry (in Z-matrix form). So, basically ghosts are not innocent at all, they are guiltier than dummies :)) Best, Jozsef Antonio G. De Crisci antonio.decrisci##utoronto.ca wrote: > Sent to CCL by: "Antonio G. De Crisci" [antonio.decrisci[#]utoronto.ca] > Hi all, > > Can someone tell me if ghost atoms (Bq) are as innocent as dummy atoms (X)? Im aware that Bq atoms dont have basis functions, but does this make it as innocent as dummy atoms? If so, why would you need Bq atoms? > > Thanks, > Anthony> > > > From owner-chemistry@ccl.net Fri Mar 6 14:21:01 2009 From: "John McKelvey jmmckel .. gmail.com" To: CCL Subject: CCL:G: G- How to retain the symmetry in a SCF calculation ? Message-Id: <-38781-090306115101-26094-KFORwj1j1ucUP9+qDZm2qA(!)server.ccl.net> X-Original-From: John McKelvey Content-Type: multipart/alternative; boundary=00504502c8e626201e0464761680 Date: Fri, 6 Mar 2009 11:50:47 -0500 MIME-Version: 1.0 Sent to CCL by: John McKelvey [jmmckel . gmail.com] --00504502c8e626201e0464761680 Content-Type: text/plain; charset=ISO-2022-JP Content-Transfer-Encoding: 7bit Johannes, Yes, I guess I am usually thinking of ground states, some closed shell and some open shell... John On Fri, Mar 6, 2009 at 8:48 AM, Johannes Hachmann jh388||cornell.edu < owner-chemistry(0)ccl.net> wrote: > > Sent to CCL by: "Johannes Hachmann" [jh388(0)cornell.edu] > Hi John, > > obviously you are usually interested in the proper electronic ground state > - but being interested in e.g. spin gaps, or a comparison of the electronic > structure/orbital sets of different spin states, or in a specific starting > guess for a post-HF calculation (which happens to be not the ground state) > is not that far fetched... Then it doesn't really help you if your calc > always falls back on the ground state which has a symmetry that's not of > interest for you. > > Best > > Johannes > > --------------------------------------------------------------- > Johannes Hachmann > (Dipl.-Chem., M.Sc.) > > Chan Research Group > 140D Baker Laboratory > Department of Chemistry and Chemical Biology > Cornell University > Ithaca, NY 14853-1301 > USA > --------------------------------------------------------------- > > > -----Original Message----- > > From: owner-chemistry+jh388==cornell.edu{}ccl.net > > [mailto:owner-chemistry+jh388 ==cornell.edu{} > ccl.net] On Behalf > > Of John McKelvey jmmckel__gmail.com > > Sent: Thursday, March 05, 2009 12:12 PM > > To: Hachmann, Johannes > > Subject: CCL:G: G- How to retain the symmetry in a SCF calculation ? > > > > Is the possibility of finding a symmetry of lower energy _all > > that bad_? I can think of an obvious reason why it would be > > beneficial.... > > > > Cheers, > > > > John McKelvey > > > > > > > > On Wed, Mar 4, 2009 at 11:19 PM, Johannes Hachmann jh388 ~~ > > cornell.edu wrote: > > > > > > > > Sent to CCL by: "Johannes Hachmann" [jh388_._cornell.edu] > > Hi Ding, > > > > sorry, never ran into this problem. Note that you might > > have to try a number of orbital swaps to get to the > > wavefunction irrep you want. Also, in case you use the STABLE > > keyword, DO NOT use STABLE=OPT because that will likely bring > > you back to a more stable wavefunction of different symmetry. > > > > Hope that helps > > > > Best > > > > Johannes > > > > --------------------------------------------------------------- > > Johannes Hachmann > > (Dipl.-Chem., M.Sc.) > > > > Chan Research Group > > 140D Baker Laboratory > > Department of Chemistry and Chemical Biology > > Cornell University > > Ithaca, NY 14853-1301 > > USA > > --------------------------------------------------------------- > > > > > -----Original Message----- > > > From: owner-chemistry+jh388==cornell.edu]|[ccl.net > > > [mailto:owner-chemistry+jh388 > > > == > cornell.edu]|[ccl.net] On Behalf > > > Of xunlei ding dingxunlei:_:gmail.com > > > Sent: Wednesday, March 04, 2009 5:12 AM > > > To: Hachmann, Johannes > > > Subject: CCL:G: G- How to retain the symmetry in a > > SCF calculation ? > > > > > > > > > Sent to CCL by: xunlei ding [dingxunlei|gmail.com] > > Dear Johannes, > > > > > > Sometimes scf=QC works but not always. > > > I hope there be a better way for this problem. > > > > > > It seems that we can use IOP, as is described as: > > > > > > IOp(5/15) > > > Apply Abelian symmetry constraints on orbitals. > > > > > > 0 Default (1 for L502, 2 for L501 and L506). > > > 1 No. > > > 2 Yes, keep occupation of each irrep the same as the > > > initial guess. > > > 3 Yes, keep overall wavefunction the same as > > the initial guess, > > > but doing the minimal amount > > > of orbital switching to accomplish this. > > > 00 Default (use Abelian symmetry in diagonalization). > > > 10 Use Abelian symmetry in diagonalization. > > > 20 Do not use Abelian symmetry in diagonalization. > > > > > > But in my test, iop(5/15=2) doesn't work. > > > > > > Any more suggestions? > > > > > > Thanks a lot! > > > > > > Best regards, > > > Ding > > > > > > > > > > > > 2009/2/13 Johannes Hachmann jh388[*]cornell.edu > > > : > > > > > > > > Sent to CCL by: "Johannes Hachmann" > > [jh388!A!cornell.edu] Hi Ding, > > > > > > > > use SCF=QC (however quadratically convergent SCF is a bit > > > costy...). > > > > See description under > > > http://www.gaussian.com/g_ur/k_guess.htm on the > > > > bottom together with GUESS=ALTER. This is not a > > > particularly elegant > > > > way to do things (compared to just specifying the > > state symmetry in > > > > e.g. MOLPRO) but it works. You might want to use the STABLE > > > option so > > > > that you know whether you have instabilities to which other > > > states and > > > > which additional MO swaps you might want to perform. > > > > > > > > Best > > > > > > > > Johannes > > > > > > > > > > --------------------------------------------------------------- > > > > Johannes Hachmann > > > > (Dipl.-Chem., M.Sc.) > > > > > > > > Chan Research Group > > > > 140D Baker Laboratory > > > > Department of Chemistry and Chemical Biology > > Cornell University > > > > Ithaca, NY 14853-1301 USA > > > > > > --------------------------------------------------------------- > > > >> -----Original Message----- > > > >> From: owner-chemistry+jh388==cornell.edu[]ccl.net > > > >> [mailto:owner-chemistry+jh388 > > > == > cornell.edu[]ccl.net] On Behalf Of > > > >> xunlei ding dingxunlei::gmail.com > > > >> Sent: Friday, February 13, 2009 3:42 AM > > > >> To: Hachmann, Johannes > > > >> Subject: CCL:G: G- How to retain the symmetry in a SCF > > > calculation ? > > > >> > > > >> > > > >> Sent to CCL by: xunlei ding > > [dingxunlei.:.gmail.com] Dear CCLers, > > > >> > > > >> In the manual of G03, the key word "SCF= Symm" is > > > discribed as below: > > > >> Retain all symmetry constraints: make the number of > > > occupied orbitals > > > >> of each symmetry type (abelian irreducible > > > >> representation) match that of the initial guess. Use this > > > option to > > > >> retain a specific state of the wavefunction throughout the > > > >> calculation. It is the default only for GVB calculations. > > > >> > > > >> But sometimes it doesn't work and the last state > > is different from > > > >> the initial state. > > > >> > > > >> Could you give me more suggestions on how to retain the > > > symmetry in a > > > >> SCF calculation? > > > >> > > > >> Thanks! > > > >> > > > >> Best regards, > > > >> Ding > > > >> > > > >> > > > >> > > > >> -= This is automatically added to each message by the > > > mailing script > > > >> =- 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> > > > >> Conferences: > > > >> http://server.ccl.net/chemistry/announcements/conferences/ > > > >> > > > >> Search Messages: http://www.ccl.net/htdig (login: ccl, > > > >> Password: search)> > > > >> > > > > > > > > > > > > > > > > -= This is automatically added to each message by the > > > mailing script > > > > =-> Search Messages: http://www.ccl.net/htdig (login: ccl, > > > Password: > > > > search)> > > > > > > > > > > > > > > > > > > > > -- > > > ------------------------------------------------------ > > > Xun-Lei Ding > > > Associate Research Professor of Physical Chemistry State Key > > > Lab for Struct. Chem. of Unstable and Stable Species > > > Institute of Chemistry, The Chinese Academy of Sciences > > > Zhongguancun North First Street 2， > > > Beijing 100190, P. R. China > > > Phone 86-10-62568330 > > > Fax 86-10-62559373 > > > > > > > > > > > > -=his is automatically added to each message by the > > mailing script = > > > To recover the email address of the author of the message, > > > please change> > Conferences: > > > http://server.ccl.net/chemistry/announcements/conferences/ > > > > > > > > > > > > > > > > > - This is automatically added to each message by the > > mailing script - > > 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> > > > > > > Conferences: > > http://server.ccl.net/chemistry/announcements/conferences/ > > > > Search Messages: > > http://www.ccl.net/chemistry/searchccl/index.shtml > > > > > > > > > > > > > > > > > > - This is automatically added to each message by the mailing script -> > > --00504502c8e626201e0464761680 Content-Type: text/html; charset=ISO-2022-JP Content-Transfer-Encoding: base64 Sm9oYW5uZXMsPGJyPjxicj5ZZXMsPGJyPkkgZ3Vlc3MgSSBhbSB1c3VhbGx5IHRoaW5raW5nIG9m IGdyb3VuZCBzdGF0ZXMsIHNvbWUgY2xvc2VkIHNoZWxsIGFuZCBzb21lIG9wZW4gc2hlbGwuLi48 YnI+PGJyPkpvaG48YnI+PGJyPjxkaXYgY2xhc3M9ImdtYWlsX3F1b3RlIj5PbiBGcmksIE1hciA2 LCAyMDA5IGF0IDg6NDggQU0sIEpvaGFubmVzIEhhY2htYW5uIGpoMzg4fHw8YSBocmVmPSJodHRw Oi8vY29ybmVsbC5lZHUiPmNvcm5lbGwuZWR1PC9hPiA8c3BhbiBkaXI9Imx0ciI+Jmx0OzxhIGhy ZWY9Im1haWx0bzpvd25lci1jaGVtaXN0cnlAY2NsLm5ldCI+b3duZXItY2hlbWlzdHJ5QGNjbC5u ZXQ8L2E+Jmd0Ozwvc3Bhbj4gd3JvdGU6PGJyPgo8YmxvY2txdW90ZSBjbGFzcz0iZ21haWxfcXVv dGUiIHN0eWxlPSJib3JkZXItbGVmdDogMXB4IHNvbGlkIHJnYigyMDQsIDIwNCwgMjA0KTsgbWFy Z2luOiAwcHQgMHB0IDBwdCAwLjhleDsgcGFkZGluZy1sZWZ0OiAxZXg7Ij48YnI+ClNlbnQgdG8g Q0NMIGJ5OiAmcXVvdDtKb2hhbm5lcyBIYWNobWFubiZxdW90OyBbamgzODgoMCk8YSBocmVmPSJo dHRwOi8vY29ybmVsbC5lZHUiIHRhcmdldD0iX2JsYW5rIj5jb3JuZWxsLmVkdTwvYT5dPGJyPgpI aSBKb2huLDxicj4KPGJyPgpvYnZpb3VzbHkgeW91IGFyZSB1c3VhbGx5IGludGVyZXN0ZWQgaW4g dGhlIHByb3BlciBlbGVjdHJvbmljIGdyb3VuZCBzdGF0ZSAtIGJ1dCBiZWluZyBpbnRlcmVzdGVk IGluIGUuZy4gc3BpbiBnYXBzLCBvciBhIGNvbXBhcmlzb24gb2YgdGhlIGVsZWN0cm9uaWMgc3Ry dWN0dXJlL29yYml0YWwgc2V0cyBvZiBkaWZmZXJlbnQgc3BpbiBzdGF0ZXMsIG9yIGluIGEgc3Bl Y2lmaWMgc3RhcnRpbmcgZ3Vlc3MgZm9yIGEgcG9zdC1IRiBjYWxjdWxhdGlvbiAod2hpY2ggaGFw cGVucyB0byBiZSBub3QgdGhlIGdyb3VuZCBzdGF0ZSkgaXMgbm90IHRoYXQgZmFyIGZldGNoZWQu Li4gVGhlbiBpdCBkb2VzbiYjMzk7dCByZWFsbHkgaGVscCB5b3UgaWYgeW91ciBjYWxjIGFsd2F5 cyBmYWxscyBiYWNrIG9uIHRoZSBncm91bmQgc3RhdGUgd2hpY2ggaGFzIGEgc3ltbWV0cnkgdGhh dCYjMzk7cyBub3Qgb2YgaW50ZXJlc3QgZm9yIHlvdS48YnI+Cgo8YnI+CkJlc3Q8YnI+Cjxicj4K Sm9oYW5uZXM8YnI+Cjxicj4KLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0t LS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tPGJyPgpKb2hhbm5lcyBIYWNobWFubjxicj4KKERpcGwu LUNoZW0uLCBNLlNjLik8YnI+Cjxicj4KQ2hhbiBSZXNlYXJjaCBHcm91cDxicj4KMTQwRCBCYWtl ciBMYWJvcmF0b3J5PGJyPgpEZXBhcnRtZW50IG9mIENoZW1pc3RyeSBhbmQgQ2hlbWljYWwgQmlv bG9neTxicj4KQ29ybmVsbCBVbml2ZXJzaXR5PGJyPgpJdGhhY2EsIE5ZIDE0ODUzLTEzMDE8YnI+ ClVTQTxicj4KLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0t LS0tLS0tLS0tLS0tLS0tPGJyPgo8YnI+CiZndDsgLS0tLS1PcmlnaW5hbCBNZXNzYWdlLS0tLS08 YnI+CiZndDsgRnJvbTogb3duZXItY2hlbWlzdHJ5K2poMzg4PT08YSBocmVmPSJodHRwOi8vY29y bmVsbC5lZHUiIHRhcmdldD0iX2JsYW5rIj5jb3JuZWxsLmVkdTwvYT57fTxhIGhyZWY9Imh0dHA6 Ly9jY2wubmV0IiB0YXJnZXQ9Il9ibGFuayI+Y2NsLm5ldDwvYT48YnI+CiZndDsgW21haWx0bzo8 YSBocmVmPSJtYWlsdG86b3duZXItY2hlbWlzdHJ5JTJCamgzODgiPm93bmVyLWNoZW1pc3RyeStq aDM4ODwvYT49PTxhIGhyZWY9Imh0dHA6Ly9jb3JuZWxsLmVkdSIgdGFyZ2V0PSJfYmxhbmsiPmNv cm5lbGwuZWR1PC9hPnt9PGEgaHJlZj0iaHR0cDovL2NjbC5uZXQiIHRhcmdldD0iX2JsYW5rIj5j Y2wubmV0PC9hPl0gT24gQmVoYWxmPGJyPgomZ3Q7IE9mIEpvaG4gTWNLZWx2ZXkgPGEgaHJlZj0i aHR0cDovL2ptbWNrZWxfX2dtYWlsLmNvbSIgdGFyZ2V0PSJfYmxhbmsiPmptbWNrZWxfX2dtYWls LmNvbTwvYT48YnI+CiZndDsgU2VudDogVGh1cnNkYXksIE1hcmNoIDA1LCAyMDA5IDEyOjEyIFBN PGJyPgomZ3Q7IFRvOiBIYWNobWFubiwgSm9oYW5uZXM8YnI+CiZndDsgU3ViamVjdDogQ0NMOkc6 IEctIEhvdyB0byByZXRhaW4gdGhlIHN5bW1ldHJ5IGluIGEgU0NGIGNhbGN1bGF0aW9uID88YnI+ CiZndDs8YnI+CiZndDsgSXMgdGhlIHBvc3NpYmlsaXR5IG9mIGZpbmRpbmcgYSBzeW1tZXRyeSBv ZiBsb3dlciBlbmVyZ3kgX2FsbDxicj4KJmd0OyB0aGF0IGJhZF8/ICZuYnNwO0kgY2FuIHRoaW5r IG9mIGFuIG9idmlvdXMgcmVhc29uIHdoeSBpdCB3b3VsZCBiZTxicj4KJmd0OyBiZW5lZmljaWFs Li4uLjxicj4KJmd0Ozxicj4KJmd0OyBDaGVlcnMsPGJyPgomZ3Q7PGJyPgomZ3Q7IEpvaG4gTWNL ZWx2ZXk8YnI+CiZndDs8YnI+CiZndDs8YnI+CiZndDs8YnI+CiZndDsgT24gV2VkLCBNYXIgNCwg MjAwOSBhdCAxMToxOSBQTSwgSm9oYW5uZXMgSGFjaG1hbm4gamgzODggfn48YnI+CiZndDsgPGEg aHJlZj0iaHR0cDovL2Nvcm5lbGwuZWR1IiB0YXJnZXQ9Il9ibGFuayI+Y29ybmVsbC5lZHU8L2E+ ICZsdDtvd25lci1jaGVtaXN0cnl7fTxhIGhyZWY9Imh0dHA6Ly9jY2wubmV0IiB0YXJnZXQ9Il9i bGFuayI+Y2NsLm5ldDwvYT4mZ3Q7IHdyb3RlOjxicj4KJmd0Ozxicj4KJmd0Ozxicj4KJmd0Ozxi cj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyBTZW50IHRvIENDTCBieTogJnF1b3Q7Sm9oYW5u ZXMgSGFjaG1hbm4mcXVvdDsgW2poMzg4Xy5fPGEgaHJlZj0iaHR0cDovL2Nvcm5lbGwuZWR1IiB0 YXJnZXQ9Il9ibGFuayI+Y29ybmVsbC5lZHU8L2E+XTxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZu YnNwOyBIaSBEaW5nLDxicj4KJmd0Ozxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyBzb3Jy eSwgbmV2ZXIgcmFuIGludG8gdGhpcyBwcm9ibGVtLiBOb3RlIHRoYXQgeW91IG1pZ2h0PGJyPgom Z3Q7IGhhdmUgdG8gdHJ5IGEgbnVtYmVyIG9mIG9yYml0YWwgc3dhcHMgdG8gZ2V0IHRvIHRoZTxi cj4KJmd0OyB3YXZlZnVuY3Rpb24gaXJyZXAgeW91IHdhbnQuIEFsc28sIGluIGNhc2UgeW91IHVz ZSB0aGUgU1RBQkxFPGJyPgomZ3Q7IGtleXdvcmQsIERPIE5PVCB1c2UgU1RBQkxFPU9QVCBiZWNh dXNlIHRoYXQgd2lsbCBsaWtlbHkgYnJpbmc8YnI+CiZndDsgeW91IGJhY2sgdG8gYSBtb3JlIHN0 YWJsZSB3YXZlZnVuY3Rpb24gb2YgZGlmZmVyZW50IHN5bW1ldHJ5Ljxicj4KJmd0Ozxicj4KJmd0 OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyBIb3BlIHRoYXQgaGVscHM8YnI+CiZndDs8YnI+CiZndDsg Jm5ic3A7ICZuYnNwOyAmbmJzcDsgQmVzdDxicj4KJmd0Ozxicj4KJmd0OyAmbmJzcDsgJm5ic3A7 ICZuYnNwOyBKb2hhbm5lczxicj4KJmd0Ozxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAt LS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0t LS0tLS08YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgSm9oYW5uZXMgSGFjaG1hbm48YnI+ CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgKERpcGwuLUNoZW0uLCBNLlNjLik8YnI+CiZndDs8 YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgQ2hhbiBSZXNlYXJjaCBHcm91cDxicj4KJmd0 OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAxNDBEIEJha2VyIExhYm9yYXRvcnk8YnI+CiZndDsgJm5i c3A7ICZuYnNwOyAmbmJzcDsgRGVwYXJ0bWVudCBvZiBDaGVtaXN0cnkgYW5kIENoZW1pY2FsIEJp b2xvZ3k8YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgQ29ybmVsbCBVbml2ZXJzaXR5PGJy PgomZ3Q7ICZuYnNwOyAmbmJzcDsgJm5ic3A7IEl0aGFjYSwgTlkgMTQ4NTMtMTMwMTxicj4KJmd0 OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyBVU0E8YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsg LS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0t LS0tLS0tPGJyPgomZ3Q7PGJyPgomZ3Q7ICZuYnNwOyAmbmJzcDsgJm5ic3A7ICZndDsgLS0tLS1P cmlnaW5hbCBNZXNzYWdlLS0tLS08YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyBG cm9tOiBvd25lci1jaGVtaXN0cnkramgzODg9PTxhIGhyZWY9Imh0dHA6Ly9jb3JuZWxsLmVkdSIg dGFyZ2V0PSJfYmxhbmsiPmNvcm5lbGwuZWR1PC9hPl18WzxhIGhyZWY9Imh0dHA6Ly9jY2wubmV0 IiB0YXJnZXQ9Il9ibGFuayI+Y2NsLm5ldDwvYT48YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJz cDsgJmd0OyBbbWFpbHRvOjxhIGhyZWY9Im1haWx0bzpvd25lci1jaGVtaXN0cnklMkJqaDM4OCI+ b3duZXItY2hlbWlzdHJ5K2poMzg4PC9hPjxicj4KJmd0OyAmbHQ7bWFpbHRvOjxhIGhyZWY9Im1h aWx0bzpvd25lci1jaGVtaXN0cnklMjUyQmpoMzg4Ij5vd25lci1jaGVtaXN0cnklMkJqaDM4ODwv YT4mZ3Q7ID09PGEgaHJlZj0iaHR0cDovL2Nvcm5lbGwuZWR1IiB0YXJnZXQ9Il9ibGFuayI+Y29y bmVsbC5lZHU8L2E+XXxbPGEgaHJlZj0iaHR0cDovL2NjbC5uZXQiIHRhcmdldD0iX2JsYW5rIj5j Y2wubmV0PC9hPl0gT24gQmVoYWxmPGJyPgoKJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7 IE9mIHh1bmxlaSBkaW5nIGRpbmd4dW5sZWk6Xzo8YSBocmVmPSJodHRwOi8vZ21haWwuY29tIiB0 YXJnZXQ9Il9ibGFuayI+Z21haWwuY29tPC9hPjxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNw OyAmZ3Q7IFNlbnQ6IFdlZG5lc2RheSwgTWFyY2ggMDQsIDIwMDkgNToxMiBBTTxicj4KJmd0OyAm bmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7IFRvOiBIYWNobWFubiwgSm9oYW5uZXM8YnI+CiZndDsg Jm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyBTdWJqZWN0OiBDQ0w6RzogRy0gSG93IHRvIHJldGFp biB0aGUgc3ltbWV0cnkgaW4gYTxicj4KJmd0OyBTQ0YgY2FsY3VsYXRpb24gPzxicj4KJmd0OyAm bmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7PGJyPgomZ3Q7ICZuYnNwOyAmbmJzcDsgJm5ic3A7ICZn dDs8YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyBTZW50IHRvIENDTCBieTogeHVu bGVpIGRpbmcgW2Rpbmd4dW5sZWl8PGEgaHJlZj0iaHR0cDovL2dtYWlsLmNvbSIgdGFyZ2V0PSJf YmxhbmsiPmdtYWlsLmNvbTwvYT5dPGJyPgomZ3Q7IERlYXIgSm9oYW5uZXMsPGJyPgomZ3Q7ICZu YnNwOyAmbmJzcDsgJm5ic3A7ICZndDs8YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0 OyBTb21ldGltZXMgc2NmPVFDIHdvcmtzIGJ1dCBub3QgYWx3YXlzLjxicj4KJmd0OyAmbmJzcDsg Jm5ic3A7ICZuYnNwOyAmZ3Q7IEkgaG9wZSB0aGVyZSBiZSBhIGJldHRlciB3YXkgZm9yIHRoaXMg cHJvYmxlbS48YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0Ozxicj4KJmd0OyAmbmJz cDsgJm5ic3A7ICZuYnNwOyAmZ3Q7IEl0IHNlZW1zIHRoYXQgd2UgY2FuIHVzZSBJT1AsIGFzIGlz IGRlc2NyaWJlZCBhczo8YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0Ozxicj4KJmd0 OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7IElPcCg1LzE1KTxicj4KJmd0OyAmbmJzcDsgJm5i c3A7ICZuYnNwOyAmZ3Q7IEFwcGx5IEFiZWxpYW4gc3ltbWV0cnkgY29uc3RyYWludHMgb24gb3Ji aXRhbHMuPGJyPgomZ3Q7ICZuYnNwOyAmbmJzcDsgJm5ic3A7ICZndDs8YnI+CiZndDsgJm5ic3A7 ICZuYnNwOyAmbmJzcDsgJmd0OyAwICZuYnNwOyAmbmJzcDsgJm5ic3A7ICZuYnNwO0RlZmF1bHQg KDEgZm9yIEw1MDIsIDIgZm9yIEw1MDEgYW5kIEw1MDYpLjxicj4KJmd0OyAmbmJzcDsgJm5ic3A7 ICZuYnNwOyAmZ3Q7IDEgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJm5ic3A7Tm8uPGJyPgomZ3Q7ICZu YnNwOyAmbmJzcDsgJm5ic3A7ICZndDsgMiAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmbmJzcDtZZXMs IGtlZXAgb2NjdXBhdGlvbiBvZiBlYWNoIGlycmVwIHRoZSBzYW1lIGFzIHRoZTxicj4KJmd0OyAm bmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7IGluaXRpYWwgZ3Vlc3MuPGJyPgomZ3Q7ICZuYnNwOyAm bmJzcDsgJm5ic3A7ICZndDsgMyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmbmJzcDtZZXMsIGtlZXAg b3ZlcmFsbCB3YXZlZnVuY3Rpb24gdGhlIHNhbWUgYXM8YnI+CiZndDsgdGhlIGluaXRpYWwgZ3Vl c3MsPGJyPgomZ3Q7ICZuYnNwOyAmbmJzcDsgJm5ic3A7ICZndDsgYnV0IGRvaW5nIHRoZSBtaW5p bWFsIGFtb3VudDxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7ICZuYnNwOyAmbmJz cDsgJm5ic3A7ICZuYnNwOyAmbmJzcDtvZiBvcmJpdGFsIHN3aXRjaGluZyB0byBhY2NvbXBsaXNo IHRoaXMuPGJyPgomZ3Q7ICZuYnNwOyAmbmJzcDsgJm5ic3A7ICZndDsgMDAgJm5ic3A7ICZuYnNw OyAmbmJzcDsgRGVmYXVsdCAodXNlIEFiZWxpYW4gc3ltbWV0cnkgaW4gZGlhZ29uYWxpemF0aW9u KS48YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyAxMCAmbmJzcDsgJm5ic3A7ICZu YnNwOyBVc2UgQWJlbGlhbiBzeW1tZXRyeSBpbiBkaWFnb25hbGl6YXRpb24uPGJyPgomZ3Q7ICZu YnNwOyAmbmJzcDsgJm5ic3A7ICZndDsgMjAgJm5ic3A7ICZuYnNwOyAmbmJzcDsgRG8gbm90IHVz ZSBBYmVsaWFuIHN5bW1ldHJ5IGluIGRpYWdvbmFsaXphdGlvbi48YnI+CiZndDsgJm5ic3A7ICZu YnNwOyAmbmJzcDsgJmd0Ozxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7IEJ1dCBp biBteSB0ZXN0LCBpb3AoNS8xNT0yKSBkb2VzbiYjMzk7dCB3b3JrLjxicj4KJmd0OyAmbmJzcDsg Jm5ic3A7ICZuYnNwOyAmZ3Q7PGJyPgomZ3Q7ICZuYnNwOyAmbmJzcDsgJm5ic3A7ICZndDsgQW55 IG1vcmUgc3VnZ2VzdGlvbnM/PGJyPgomZ3Q7ICZuYnNwOyAmbmJzcDsgJm5ic3A7ICZndDs8YnI+ CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyBUaGFua3MgYSBsb3QhPGJyPgomZ3Q7ICZu YnNwOyAmbmJzcDsgJm5ic3A7ICZndDs8YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0 OyBCZXN0IHJlZ2FyZHMsPGJyPgomZ3Q7ICZuYnNwOyAmbmJzcDsgJm5ic3A7ICZndDsgRGluZzxi cj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7PGJyPgomZ3Q7ICZuYnNwOyAmbmJzcDsg Jm5ic3A7ICZndDs8YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0Ozxicj4KJmd0OyAm bmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7IDIwMDkvMi8xMyBKb2hhbm5lcyBIYWNobWFubiBqaDM4 OFsqXTxhIGhyZWY9Imh0dHA6Ly9jb3JuZWxsLmVkdSIgdGFyZ2V0PSJfYmxhbmsiPmNvcm5lbGwu ZWR1PC9hPjxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7ICZsdDtvd25lci1jaGVt aXN0cnl8fDxhIGhyZWY9Imh0dHA6Ly9jY2wubmV0IiB0YXJnZXQ9Il9ibGFuayI+Y2NsLm5ldDwv YT4mZ3Q7Ojxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7ICZndDs8YnI+CiZndDsg Jm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyAmZ3Q7IFNlbnQgdG8gQ0NMIGJ5OiAmcXVvdDtKb2hh bm5lcyBIYWNobWFubiZxdW90Ozxicj4KJmd0OyBbamgzODghQSE8YSBocmVmPSJodHRwOi8vY29y bmVsbC5lZHUiIHRhcmdldD0iX2JsYW5rIj5jb3JuZWxsLmVkdTwvYT5dIEhpIERpbmcsPGJyPgom Z3Q7ICZuYnNwOyAmbmJzcDsgJm5ic3A7ICZndDsgJmd0Ozxicj4KJmd0OyAmbmJzcDsgJm5ic3A7 ICZuYnNwOyAmZ3Q7ICZndDsgdXNlIFNDRj1RQyAoaG93ZXZlciBxdWFkcmF0aWNhbGx5IGNvbnZl cmdlbnQgU0NGIGlzIGEgYml0PGJyPgomZ3Q7ICZuYnNwOyAmbmJzcDsgJm5ic3A7ICZndDsgY29z dHkuLi4pLjxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7ICZndDsgU2VlIGRlc2Ny aXB0aW9uIHVuZGVyPGJyPgomZ3Q7ICZuYnNwOyAmbmJzcDsgJm5ic3A7ICZndDsgPGEgaHJlZj0i aHR0cDovL3d3dy5nYXVzc2lhbi5jb20vZ191ci9rX2d1ZXNzLmh0bSIgdGFyZ2V0PSJfYmxhbmsi Pmh0dHA6Ly93d3cuZ2F1c3NpYW4uY29tL2dfdXIva19ndWVzcy5odG08L2E+IG9uIHRoZTxicj4K Jmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7ICZndDsgYm90dG9tIHRvZ2V0aGVyIHdpdGgg R1VFU1M9QUxURVIuIFRoaXMgaXMgbm90IGE8YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsg Jmd0OyBwYXJ0aWN1bGFybHkgZWxlZ2FudDxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAm Z3Q7ICZndDsgd2F5IHRvIGRvIHRoaW5ncyAoY29tcGFyZWQgdG8ganVzdCBzcGVjaWZ5aW5nIHRo ZTxicj4KJmd0OyBzdGF0ZSBzeW1tZXRyeSBpbjxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNw OyAmZ3Q7ICZndDsgZS5nLiBNT0xQUk8pIGJ1dCBpdCB3b3Jrcy4gWW91IG1pZ2h0IHdhbnQgdG8g dXNlIHRoZSBTVEFCTEU8YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyBvcHRpb24g c288YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyAmZ3Q7IHRoYXQgeW91IGtub3cg d2hldGhlciB5b3UgaGF2ZSBpbnN0YWJpbGl0aWVzIHRvIHdoaWNoIG90aGVyPGJyPgomZ3Q7ICZu YnNwOyAmbmJzcDsgJm5ic3A7ICZndDsgc3RhdGVzIGFuZDxicj4KJmd0OyAmbmJzcDsgJm5ic3A7 ICZuYnNwOyAmZ3Q7ICZndDsgd2hpY2ggYWRkaXRpb25hbCBNTyBzd2FwcyB5b3UgbWlnaHQgd2Fu dCB0byBwZXJmb3JtLjxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7ICZndDs8YnI+ CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyAmZ3Q7IEJlc3Q8YnI+CiZndDsgJm5ic3A7 ICZuYnNwOyAmbmJzcDsgJmd0OyAmZ3Q7PGJyPgomZ3Q7ICZuYnNwOyAmbmJzcDsgJm5ic3A7ICZn dDsgJmd0OyBKb2hhbm5lczxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7ICZndDs8 YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyAmZ3Q7PGJyPgomZ3Q7IC0tLS0tLS0t LS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLTxi cj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7ICZndDsgSm9oYW5uZXMgSGFjaG1hbm48 YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyAmZ3Q7IChEaXBsLi1DaGVtLiwgTS5T Yy4pPGJyPgomZ3Q7ICZuYnNwOyAmbmJzcDsgJm5ic3A7ICZndDsgJmd0Ozxicj4KJmd0OyAmbmJz cDsgJm5ic3A7ICZuYnNwOyAmZ3Q7ICZndDsgQ2hhbiBSZXNlYXJjaCBHcm91cDxicj4KJmd0OyAm bmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7ICZndDsgMTQwRCBCYWtlciBMYWJvcmF0b3J5PGJyPgom Z3Q7ICZuYnNwOyAmbmJzcDsgJm5ic3A7ICZndDsgJmd0OyBEZXBhcnRtZW50IG9mIENoZW1pc3Ry eSBhbmQgQ2hlbWljYWwgQmlvbG9neTxicj4KJmd0OyBDb3JuZWxsIFVuaXZlcnNpdHk8YnI+CiZn dDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyAmZ3Q7IEl0aGFjYSwgTlkgMTQ4NTMtMTMwMSBV U0E8YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyAmZ3Q7PGJyPgomZ3Q7IC0tLS0t LS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0t LTxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7ICZndDsmZ3Q7IC0tLS0tT3JpZ2lu YWwgTWVzc2FnZS0tLS0tPGJyPgomZ3Q7ICZuYnNwOyAmbmJzcDsgJm5ic3A7ICZndDsgJmd0OyZn dDsgRnJvbTogb3duZXItY2hlbWlzdHJ5K2poMzg4PT08YSBocmVmPSJodHRwOi8vY29ybmVsbC5l ZHUiIHRhcmdldD0iX2JsYW5rIj5jb3JuZWxsLmVkdTwvYT5bXTxhIGhyZWY9Imh0dHA6Ly9jY2wu bmV0IiB0YXJnZXQ9Il9ibGFuayI+Y2NsLm5ldDwvYT48YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAm bmJzcDsgJmd0OyAmZ3Q7Jmd0OyBbbWFpbHRvOjxhIGhyZWY9Im1haWx0bzpvd25lci1jaGVtaXN0 cnklMkJqaDM4OCI+b3duZXItY2hlbWlzdHJ5K2poMzg4PC9hPjxicj4KJmd0OyAmbHQ7bWFpbHRv OjxhIGhyZWY9Im1haWx0bzpvd25lci1jaGVtaXN0cnklMjUyQmpoMzg4Ij5vd25lci1jaGVtaXN0 cnklMkJqaDM4ODwvYT4mZ3Q7ID09PGEgaHJlZj0iaHR0cDovL2Nvcm5lbGwuZWR1IiB0YXJnZXQ9 Il9ibGFuayI+Y29ybmVsbC5lZHU8L2E+W108YSBocmVmPSJodHRwOi8vY2NsLm5ldCIgdGFyZ2V0 PSJfYmxhbmsiPmNjbC5uZXQ8L2E+XSBPbiBCZWhhbGYgT2Y8YnI+CgomZ3Q7ICZuYnNwOyAmbmJz cDsgJm5ic3A7ICZndDsgJmd0OyZndDsgeHVubGVpIGRpbmcgZGluZ3h1bmxlaTo6PGEgaHJlZj0i aHR0cDovL2dtYWlsLmNvbSIgdGFyZ2V0PSJfYmxhbmsiPmdtYWlsLmNvbTwvYT48YnI+CiZndDsg Jm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyAmZ3Q7Jmd0OyBTZW50OiBGcmlkYXksIEZlYnJ1YXJ5 IDEzLCAyMDA5IDM6NDIgQU08YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyAmZ3Q7 Jmd0OyBUbzogSGFjaG1hbm4sIEpvaGFubmVzPGJyPgomZ3Q7ICZuYnNwOyAmbmJzcDsgJm5ic3A7 ICZndDsgJmd0OyZndDsgU3ViamVjdDogQ0NMOkc6IEctIEhvdyB0byByZXRhaW4gdGhlIHN5bW1l dHJ5IGluIGEgU0NGPGJyPgomZ3Q7ICZuYnNwOyAmbmJzcDsgJm5ic3A7ICZndDsgY2FsY3VsYXRp b24gPzxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7ICZndDsmZ3Q7PGJyPgomZ3Q7 ICZuYnNwOyAmbmJzcDsgJm5ic3A7ICZndDsgJmd0OyZndDs8YnI+CiZndDsgJm5ic3A7ICZuYnNw OyAmbmJzcDsgJmd0OyAmZ3Q7Jmd0OyBTZW50IHRvIENDTCBieTogeHVubGVpIGRpbmc8YnI+CiZn dDsgW2Rpbmd4dW5sZWkuOi48YSBocmVmPSJodHRwOi8vZ21haWwuY29tIiB0YXJnZXQ9Il9ibGFu ayI+Z21haWwuY29tPC9hPl0gRGVhciBDQ0xlcnMsPGJyPgomZ3Q7ICZuYnNwOyAmbmJzcDsgJm5i c3A7ICZndDsgJmd0OyZndDs8YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyAmZ3Q7 Jmd0OyBJbiB0aGUgbWFudWFsIG9mIEcwMywgdGhlIGtleSB3b3JkICZxdW90O1NDRj0gU3ltbSZx dW90OyBpczxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7IGRpc2NyaWJlZCBhcyBi ZWxvdzo8YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyAmZ3Q7Jmd0OyBSZXRhaW4g YWxsIHN5bW1ldHJ5IGNvbnN0cmFpbnRzOiBtYWtlIHRoZSBudW1iZXIgb2Y8YnI+CiZndDsgJm5i c3A7ICZuYnNwOyAmbmJzcDsgJmd0OyBvY2N1cGllZCBvcmJpdGFsczxicj4KJmd0OyAmbmJzcDsg Jm5ic3A7ICZuYnNwOyAmZ3Q7ICZndDsmZ3Q7IG9mIGVhY2ggc3ltbWV0cnkgdHlwZSAoYWJlbGlh biBpcnJlZHVjaWJsZTxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7ICZndDsmZ3Q7 IHJlcHJlc2VudGF0aW9uKSBtYXRjaCB0aGF0IG9mIHRoZSBpbml0aWFsIGd1ZXNzLiBVc2UgdGhp czxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7IG9wdGlvbiB0bzxicj4KJmd0OyAm bmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7ICZndDsmZ3Q7IHJldGFpbiBhIHNwZWNpZmljIHN0YXRl IG9mIHRoZSB3YXZlZnVuY3Rpb24gdGhyb3VnaG91dCB0aGU8YnI+CiZndDsgJm5ic3A7ICZuYnNw OyAmbmJzcDsgJmd0OyAmZ3Q7Jmd0OyBjYWxjdWxhdGlvbi4gSXQgaXMgdGhlIGRlZmF1bHQgb25s eSBmb3IgR1ZCIGNhbGN1bGF0aW9ucy48YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0 OyAmZ3Q7Jmd0Ozxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7ICZndDsmZ3Q7IEJ1 dCBzb21ldGltZXMgaXQgZG9lc24mIzM5O3Qgd29yayBhbmQgdGhlIGxhc3Qgc3RhdGU8YnI+CiZn dDsgaXMgZGlmZmVyZW50IGZyb208YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyAm Z3Q7Jmd0OyB0aGUgaW5pdGlhbCBzdGF0ZS48YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsg Jmd0OyAmZ3Q7Jmd0Ozxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7ICZndDsmZ3Q7 IENvdWxkIHlvdSBnaXZlIG1lIG1vcmUgc3VnZ2VzdGlvbnMgb24gaG93IHRvIHJldGFpbiB0aGU8 YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyBzeW1tZXRyeSBpbiBhPGJyPgomZ3Q7 ICZuYnNwOyAmbmJzcDsgJm5ic3A7ICZndDsgJmd0OyZndDsgU0NGIGNhbGN1bGF0aW9uPzxicj4K Jmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7ICZndDsmZ3Q7PGJyPgomZ3Q7ICZuYnNwOyAm bmJzcDsgJm5ic3A7ICZndDsgJmd0OyZndDsgVGhhbmtzITxicj4KJmd0OyAmbmJzcDsgJm5ic3A7 ICZuYnNwOyAmZ3Q7ICZndDsmZ3Q7PGJyPgomZ3Q7ICZuYnNwOyAmbmJzcDsgJm5ic3A7ICZndDsg Jmd0OyZndDsgQmVzdCByZWdhcmRzLDxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7 ICZndDsmZ3Q7IERpbmc8YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyAmZ3Q7Jmd0 Ozxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7ICZndDsmZ3Q7PGJyPgomZ3Q7ICZu YnNwOyAmbmJzcDsgJm5ic3A7ICZndDsgJmd0OyZndDs8YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAm bmJzcDsgJmd0OyAmZ3Q7Jmd0OyAtPSBUaGlzIGlzIGF1dG9tYXRpY2FsbHkgYWRkZWQgdG8gZWFj aCBtZXNzYWdlIGJ5IHRoZTxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7IG1haWxp bmcgc2NyaXB0PGJyPgomZ3Q7ICZuYnNwOyAmbmJzcDsgJm5ic3A7ICZndDsgJmd0OyZndDsgPS0g VG8gcmVjb3ZlciB0aGUgZW1haWwgYWRkcmVzcyBvZiB0aGUgYXV0aG9yIG9mIHRoZTxicj4KJmd0 OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7IG1lc3NhZ2UsIHBsZWFzZTxicj4KJmd0OyAmbmJz cDsgJm5ic3A7ICZuYnNwOyAmZ3Q7ICZndDsmZ3Q7IGNoYW5nZSB0aGUgc3RyYW5nZSBjaGFyYWN0 ZXJzIG9uIHRoZSB0b3AgbGluZSB0byB0aGUgW108YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJz cDsgJmd0OyBzaWduLiBZb3UgY2FuPGJyPgomZ3Q7ICZuYnNwOyAmbmJzcDsgJm5ic3A7ICZndDsg Jmd0OyZndDsgYWxzbyZndDs8YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyAmZ3Q7 Jmd0OyBDb25mZXJlbmNlczo8YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyAmZ3Q7 Jmd0OyA8YSBocmVmPSJodHRwOi8vc2VydmVyLmNjbC5uZXQvY2hlbWlzdHJ5L2Fubm91bmNlbWVu dHMvY29uZmVyZW5jZXMvIiB0YXJnZXQ9Il9ibGFuayI+aHR0cDovL3NlcnZlci5jY2wubmV0L2No ZW1pc3RyeS9hbm5vdW5jZW1lbnRzL2NvbmZlcmVuY2VzLzwvYT48YnI+CiZndDsgJm5ic3A7ICZu YnNwOyAmbmJzcDsgJmd0OyAmZ3Q7Jmd0Ozxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAm Z3Q7ICZndDsmZ3Q7IFNlYXJjaCBNZXNzYWdlczogPGEgaHJlZj0iaHR0cDovL3d3dy5jY2wubmV0 L2h0ZGlnIiB0YXJnZXQ9Il9ibGFuayI+aHR0cDovL3d3dy5jY2wubmV0L2h0ZGlnPC9hPiAmbmJz cDsobG9naW46IGNjbCw8YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyAmZ3Q7Jmd0 OyBQYXNzd29yZDogc2VhcmNoKSZndDs8YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0 OyAmZ3Q7Jmd0Ozxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7ICZndDs8YnI+CiZn dDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyAmZ3Q7PGJyPgomZ3Q7ICZuYnNwOyAmbmJzcDsg Jm5ic3A7ICZndDsgJmd0Ozxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7ICZndDsg LT0gVGhpcyBpcyBhdXRvbWF0aWNhbGx5IGFkZGVkIHRvIGVhY2ggbWVzc2FnZSBieSB0aGU8YnI+ CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyBtYWlsaW5nIHNjcmlwdDxicj4KJmd0OyAm bmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7ICZndDsgPS0mZ3Q7IFNlYXJjaCBNZXNzYWdlczogPGEg aHJlZj0iaHR0cDovL3d3dy5jY2wubmV0L2h0ZGlnIiB0YXJnZXQ9Il9ibGFuayI+aHR0cDovL3d3 dy5jY2wubmV0L2h0ZGlnPC9hPiAmbmJzcDsobG9naW46IGNjbCw8YnI+CiZndDsgJm5ic3A7ICZu YnNwOyAmbmJzcDsgJmd0OyBQYXNzd29yZDo8YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsg Jmd0OyAmZ3Q7IHNlYXJjaCkmZ3Q7PGJyPgomZ3Q7ICZuYnNwOyAmbmJzcDsgJm5ic3A7ICZndDsg Jmd0Ozxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7ICZndDs8YnI+CiZndDsgJm5i c3A7ICZuYnNwOyAmbmJzcDsgJmd0Ozxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7 PGJyPgomZ3Q7ICZuYnNwOyAmbmJzcDsgJm5ic3A7ICZndDs8YnI+CiZndDsgJm5ic3A7ICZuYnNw OyAmbmJzcDsgJmd0OyAtLTxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7IC0tLS0t LS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLS0tLTxicj4KJmd0 OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7IFh1bi1MZWkgRGluZzxicj4KJmd0OyAmbmJzcDsg Jm5ic3A7ICZuYnNwOyAmZ3Q7IEFzc29jaWF0ZSBSZXNlYXJjaCBQcm9mZXNzb3Igb2YgUGh5c2lj YWwgQ2hlbWlzdHJ5IFN0YXRlIEtleTxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7 IExhYiBmb3IgU3RydWN0LiBDaGVtLiBvZiBVbnN0YWJsZSBhbmQgU3RhYmxlIFNwZWNpZXM8YnI+ CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyBJbnN0aXR1dGUgb2YgQ2hlbWlzdHJ5LCBU aGUgQ2hpbmVzZSBBY2FkZW15IG9mIFNjaWVuY2VzPGJyPgomZ3Q7ICZuYnNwOyAmbmJzcDsgJm5i c3A7ICZndDsgWmhvbmdndWFuY3VuIE5vcnRoIEZpcnN0IFN0cmVldCAyGyRCISQbKEI8YnI+CiZn dDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyBCZWlqaW5nIDEwMDE5MCwgUC4gUi4gQ2hpbmE8 YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyBQaG9uZSA4Ni0xMC02MjU2ODMzMDxi cj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7IEZheCAmbmJzcDsgODYtMTAtNjI1NTkz NzM8YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0Ozxicj4KJmd0OyAmbmJzcDsgJm5i c3A7ICZuYnNwOyAmZ3Q7PGJyPgomZ3Q7ICZuYnNwOyAmbmJzcDsgJm5ic3A7ICZndDs8YnI+CiZn dDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyAtPWhpcyBpcyBhdXRvbWF0aWNhbGx5IGFkZGVk IHRvIGVhY2ggbWVzc2FnZSBieSB0aGU8YnI+CiZndDsgbWFpbGluZyBzY3JpcHQgPTxicj4KJmd0 OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7IFRvIHJlY292ZXIgdGhlIGVtYWlsIGFkZHJlc3Mg b2YgdGhlIGF1dGhvciBvZiB0aGUgbWVzc2FnZSw8YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJz cDsgJmd0OyBwbGVhc2UgY2hhbmdlJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsmZ3Q7 IENvbmZlcmVuY2VzOjxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7IDxhIGhyZWY9 Imh0dHA6Ly9zZXJ2ZXIuY2NsLm5ldC9jaGVtaXN0cnkvYW5ub3VuY2VtZW50cy9jb25mZXJlbmNl cy8iIHRhcmdldD0iX2JsYW5rIj5odHRwOi8vc2VydmVyLmNjbC5uZXQvY2hlbWlzdHJ5L2Fubm91 bmNlbWVudHMvY29uZmVyZW5jZXMvPC9hPjxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAm Z3Q7ICZndDsgJmd0OyAmZ3Q7PGJyPgomZ3Q7ICZuYnNwOyAmbmJzcDsgJm5ic3A7ICZndDs8YnI+ CiZndDs8YnI+CiZndDs8YnI+CiZndDs8YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgLSBU aGlzIGlzIGF1dG9tYXRpY2FsbHkgYWRkZWQgdG8gZWFjaCBtZXNzYWdlIGJ5IHRoZTxicj4KJmd0 OyBtYWlsaW5nIHNjcmlwdCAtPGJyPgomZ3Q7ICZuYnNwOyAmbmJzcDsgJm5ic3A7IFRvIHJlY292 ZXIgdGhlIGVtYWlsIGFkZHJlc3Mgb2YgdGhlIGF1dGhvciBvZiB0aGU8YnI+CiZndDsgbWVzc2Fn ZSwgcGxlYXNlIGNoYW5nZTxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyB0aGUgc3RyYW5n ZSBjaGFyYWN0ZXJzIG9uIHRoZSB0b3AgbGluZSB0byB0aGUge30gc2lnbi48YnI+CiZndDsgWW91 IGNhbiBhbHNvJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgJmd0OyAmbmJzcDsgJm5i c3A7ICZuYnNwOyAmZ3Q7ICZuYnNwOyAmbmJzcDsgJm5ic3A7ICZndDsgJm5ic3A7ICZuYnNwOyAm bmJzcDsgJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAmZ3Q7ICZuYnNwOyAmbmJzcDsgJm5ic3A7 IENvbmZlcmVuY2VzOjxicj4KJmd0OyA8YSBocmVmPSJodHRwOi8vc2VydmVyLmNjbC5uZXQvY2hl bWlzdHJ5L2Fubm91bmNlbWVudHMvY29uZmVyZW5jZXMvIiB0YXJnZXQ9Il9ibGFuayI+aHR0cDov L3NlcnZlci5jY2wubmV0L2NoZW1pc3RyeS9hbm5vdW5jZW1lbnRzL2NvbmZlcmVuY2VzLzwvYT48 YnI+CiZndDs8YnI+CiZndDsgJm5ic3A7ICZuYnNwOyAmbmJzcDsgU2VhcmNoIE1lc3NhZ2VzOjxi cj4KJmd0OyA8YSBocmVmPSJodHRwOi8vd3d3LmNjbC5uZXQvY2hlbWlzdHJ5L3NlYXJjaGNjbC9p bmRleC5zaHRtbCIgdGFyZ2V0PSJfYmxhbmsiPmh0dHA6Ly93d3cuY2NsLm5ldC9jaGVtaXN0cnkv c2VhcmNoY2NsL2luZGV4LnNodG1sPC9hPjxicj4KJmd0OyAmbmJzcDsgJm5ic3A7ICZuYnNwOyAm Z3Q7ICZuYnNwOyAmbmJzcDsgJm5ic3A7ICZndDs8YnI+CiZndDs8YnI+CiZndDs8YnI+CiZndDs8 YnI+CiZndDs8YnI+CiZndDs8YnI+Cjxicj4KPGJyPgo8YnI+Ci0gVGhpcyBpcyBhdXRvbWF0aWNh bGx5IGFkZGVkIHRvIGVhY2ggbWVzc2FnZSBieSB0aGUgbWFpbGluZyBzY3JpcHQgLTxicj4KVG8g cmVjb3ZlciB0aGUgZW1haWwgYWRkcmVzcyBvZiB0aGUgYXV0aG9yIG9mIHRoZSBtZXNzYWdlLCBw bGVhc2UgY2hhbmdlPGJyPgp0aGUgc3RyYW5nZSBjaGFyYWN0ZXJzIG9uIHRoZSB0b3AgbGluZSB0 byB0aGUgQCBzaWduLiBZb3UgY2FuIGFsc288YnI+Cmxvb2sgdXAgdGhlIFgtT3JpZ2luYWwtRnJv bTogbGluZSBpbiB0aGUgbWFpbCBoZWFkZXIuPGJyPgo8YnI+CkUtbWFpbCB0byBzdWJzY3JpYmVy czogPGEgaHJlZj0ibWFpbHRvOkNIRU1JU1RSWUBjY2wubmV0Ij5DSEVNSVNUUllAY2NsLm5ldDwv YT4gb3IgdXNlOjxicj4KICZuYnNwOyAmbmJzcDsgJm5ic3A7PGEgaHJlZj0iaHR0cDovL3d3dy5j Y2wubmV0L2NnaS1iaW4vY2NsL3NlbmRfY2NsX21lc3NhZ2UiIHRhcmdldD0iX2JsYW5rIj5odHRw Oi8vd3d3LmNjbC5uZXQvY2dpLWJpbi9jY2wvc2VuZF9jY2xfbWVzc2FnZTwvYT48YnI+Cjxicj4K RS1tYWlsIHRvIGFkbWluaXN0cmF0b3JzOiA8YSBocmVmPSJtYWlsdG86Q0hFTUlTVFJZLVJFUVVF U1RAY2NsLm5ldCI+Q0hFTUlTVFJZLVJFUVVFU1RAY2NsLm5ldDwvYT4gb3IgdXNlPGJyPgogJm5i c3A7ICZuYnNwOyAmbmJzcDs8YSBocmVmPSJodHRwOi8vd3d3LmNjbC5uZXQvY2dpLWJpbi9jY2wv c2VuZF9jY2xfbWVzc2FnZSIgdGFyZ2V0PSJfYmxhbmsiPmh0dHA6Ly93d3cuY2NsLm5ldC9jZ2kt YmluL2NjbC9zZW5kX2NjbF9tZXNzYWdlPC9hPjxicj4KPGJyPgpTdWJzY3JpYmUvVW5zdWJzY3Jp YmU6PGJyPgogJm5ic3A7ICZuYnNwOyAmbmJzcDs8YSBocmVmPSJodHRwOi8vd3d3LmNjbC5uZXQv Y2hlbWlzdHJ5L3N1Yl91bnN1Yi5zaHRtbCIgdGFyZ2V0PSJfYmxhbmsiPmh0dHA6Ly93d3cuY2Ns Lm5ldC9jaGVtaXN0cnkvc3ViX3Vuc3ViLnNodG1sPC9hPjxicj4KPGJyPgpCZWZvcmUgcG9zdGlu ZywgY2hlY2sgd2FpdCB0aW1lIGF0OiA8YSBocmVmPSJodHRwOi8vd3d3LmNjbC5uZXQiIHRhcmdl dD0iX2JsYW5rIj5odHRwOi8vd3d3LmNjbC5uZXQ8L2E+PGJyPgo8YnI+CkpvYjogPGEgaHJlZj0i aHR0cDovL3d3dy5jY2wubmV0L2pvYnMiIHRhcmdldD0iX2JsYW5rIj5odHRwOi8vd3d3LmNjbC5u ZXQvam9iczwvYT48YnI+CkNvbmZlcmVuY2VzOiA8YSBocmVmPSJodHRwOi8vc2VydmVyLmNjbC5u ZXQvY2hlbWlzdHJ5L2Fubm91bmNlbWVudHMvY29uZmVyZW5jZXMvIiB0YXJnZXQ9Il9ibGFuayI+ aHR0cDovL3NlcnZlci5jY2wubmV0L2NoZW1pc3RyeS9hbm5vdW5jZW1lbnRzL2NvbmZlcmVuY2Vz LzwvYT48YnI+Cjxicj4KU2VhcmNoIE1lc3NhZ2VzOiA8YSBocmVmPSJodHRwOi8vd3d3LmNjbC5u ZXQvY2hlbWlzdHJ5L3NlYXJjaGNjbC9pbmRleC5zaHRtbCIgdGFyZ2V0PSJfYmxhbmsiPmh0dHA6 Ly93d3cuY2NsLm5ldC9jaGVtaXN0cnkvc2VhcmNoY2NsL2luZGV4LnNodG1sPC9hPjxicj4KPGJy PgpJZiB5b3VyIG1haWwgYm91bmNlcyBmcm9tIENDTCB3aXRoIDUuNy4xIGVycm9yLCBjaGVjazo8 YnI+CiAmbmJzcDsgJm5ic3A7ICZuYnNwOzxhIGhyZWY9Imh0dHA6Ly93d3cuY2NsLm5ldC9zcGFt bWVycy50eHQiIHRhcmdldD0iX2JsYW5rIj5odHRwOi8vd3d3LmNjbC5uZXQvc3BhbW1lcnMudHh0 PC9hPjxicj4KPGJyPgpSVEZJOiA8YSBocmVmPSJodHRwOi8vd3d3LmNjbC5uZXQvY2hlbWlzdHJ5 L2Fib3V0Y2NsL2luc3RydWN0aW9ucy8iIHRhcmdldD0iX2JsYW5rIj5odHRwOi8vd3d3LmNjbC5u ZXQvY2hlbWlzdHJ5L2Fib3V0Y2NsL2luc3RydWN0aW9ucy88L2E+PGJyPgo8YnI+Cjxicj4KPC9i bG9ja3F1b3RlPjwvZGl2Pjxicj4K --00504502c8e626201e0464761680-- From owner-chemistry@ccl.net Fri Mar 6 14:56:00 2009 From: "Joannis Apostolakis apostola*o*bio.ifi.lmu.de" To: CCL Subject: CCL: Chil2 plattform for molecular modelling Message-Id: <-38782-090306094939-26271-JDVd0JHCfojLP2/l1hGGVA[*]server.ccl.net> X-Original-From: "Joannis Apostolakis" Date: Fri, 6 Mar 2009 09:49:35 -0500 Sent to CCL by: "Joannis Apostolakis" [apostola_-_bio.ifi.lmu.de] Dear Colleagues, this is to announce that the Chil2 platform containing a number of high quality tools for molecular modelling, design and cheminformatics is available at the site www.chli2.de. For academics it is free of charge and can be used on an unlimited number of cpus. It comes with a license that expires every three months, and which can then be renewed by downloading it again from the site. Companies are welcome to test for the same period of time under the same conditions, however will need to buy the license for use beyond the first three months. Chil2 contains GlamDock, a highly efficient and accurate protein ligand docker (Tietze and Apostolakis 2007, JCIM) GMA possibly the fastest flexible structural alignment approach (Marialke et al. 2007, JCIM) HomDock a structure/ligand based docking alignment tool for fast docking of ligands that are similar to a given target. (Marialke et al. 2008) FUZZEE, a weighted reduced graph similarity approach that allows in the order of 1000 molecule comparisons per second and a simple library viewer that allows scrolling through screening results and viewing of the relevant structures. Chil2 is written in JAVA and is therefore largely system independent. We believe the platform is an interesting addition to the existing repertoire of methods and are looking forward to your feedback. With best regards Jannis Apostolakis From owner-chemistry@ccl.net Fri Mar 6 15:31:00 2009 From: "lerouvin###loria.fr" To: CCL Subject: CCL: openbabel Message-Id: <-38783-090306110455-6379-1b0gFmq+9LKAduNV6os+8g(~)server.ccl.net> X-Original-From: lerouvin%a%loria.fr Content-Disposition: inline Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset=UTF-8; DelSp="Yes"; format="flowed" Date: Fri, 06 Mar 2009 16:32:51 +0100 MIME-Version: 1.0 Sent to CCL by: lerouvin**loria.fr Hi, You should specify your OS so we could help you. OpenBabel is part of the Debian universe repository so if you have a =20 Debian/Ubuntu/Mint/etc Linux system all it takes is to type "sudo =20 apt-get install openbabel" in a terminal. Two packages at least will =20 be installed : openbabel itself and libopenbabel2 which contains the =20 library you are missing. I suggest you not to trust OpenBabel too much anyway... the OpenEye =20 Babel implementation is IMHO more reliable and as an academic you can =20 have it for free. VL "Kamel Mansouri kamel_mansouri[]yahoo.fr" a =C3=A9= crit=C2=A0: > hello every body, > i'm trying to use openbabel to convert files from different formats, =20 > but i didn't found any binary file for 32 byte i386, so i compiled =20 > the sources, but still not able to run the program because of an =20 > unfound library and im getting this error message: > babel: error while loading shared libraries: libopenbabel.so.1: =20 > cannot open shared object file: No such file or directory > > if some one already have a binary file or can give solution with =20 > this library,please help!! > thanx > From owner-chemistry@ccl.net Fri Mar 6 16:10:01 2009 From: "Geoffrey Hutchison geoffh+++pitt.edu" To: CCL Subject: CCL: openbabel Message-Id: <-38784-090306123020-27233-nHCzSi2HiWVWoDdFG5ufgA###server.ccl.net> X-Original-From: Geoffrey Hutchison Content-transfer-encoding: 7bit Content-type: text/plain; delsp=yes; format=flowed; charset=US-ASCII Date: Fri, 06 Mar 2009 11:58:52 -0500 MIME-version: 1.0 (Apple Message framework v930.3) Sent to CCL by: Geoffrey Hutchison [geoffh+*pitt.edu] Well, to start out with, there's an Open Babel mailing list for problems: openbabel-discuss~~lists.sourceforge.net There are many, many prebuilt binaries. Judging from your message, you're looking for an Open Babel package for Linux. You don't mention your distribution, but I suspect it already has an Open Babel package: http://openbabel.org/wiki/Get_Open_Babel Hope that helps, -Geoff -- Prof. Geoffrey Hutchison, Department of Chemistry, University of Pittsburgh http://hutchison.chem.pitt.edu/ Office: 412-648-0492 E-mail geoffh~~pitt.edu From owner-chemistry@ccl.net Fri Mar 6 16:41:01 2009 From: "Noel M O Boyle baoilleach,,gmail.com" To: CCL Subject: CCL: openbabel Message-Id: <-38785-090306141953-15425-LcH2UfeSkpQHojA3zoxV8w-,-server.ccl.net> X-Original-From: "Noel M O Boyle" Date: Fri, 6 Mar 2009 14:19:49 -0500 Sent to CCL by: "Noel M O Boyle" [baoilleach^^gmail.com] You need to add the location of libopenbabel.so to your LD_LIBRARY_PATH. See http://openbabel.org/wiki/Install_(source_code) - Noel > "Kamel Mansouri kamel_mansouri[]yahoo.fr" wrote: > > Sent to CCL by: Kamel Mansouri [kamel_mansouri%%yahoo.fr] > > --0-1062520092-1236338538=:93342 > Content-Type: text/plain; charset=utf-8 > Content-Transfer-Encoding: quoted-printable > > hello every body, > i'm trying to use openbabel to convert files from different formats, but i = > didn't found any binary file for 32 byte i386, so i compiled the sources, b= > ut still not able to run the program because of an unfound library and im g= > etting this error message:=20 > babel: error while loading shared libraries: libopenbabel.so.1: cannot open= > shared object file: No such file or directory > > if some one already have a binary file or can give solution with this libra= > ry,please help!!=20 > thanx > > =0A=0A=0A > --0-1062520092-1236338538=:93342 > Content-Type: text/html; charset=utf-8 > Content-Transfer-Encoding: quoted-printable > >
top" style=3D"font: inherit;">hello every body,
i'm trying to use openba= > bel to convert files from different formats, but i didn't found any binary = > file for 32 byte i386, so i compiled the sources, but still not able to run= > the program because of an unfound library and im getting this error messag= > e:
babel: error while loading shared libraries: libopenbabel.so.1: cann= > ot open shared object file: No such file or directory

if some one al= > ready have a binary file or can give solution with this library,please help= > !!
thanx


=0A=0A=0A=0A > --0-1062520092-1236338538=:93342-- > > From owner-chemistry@ccl.net Fri Mar 6 17:18:00 2009 From: "Adam Tenderholt atenderholt:gmail.com" To: CCL Subject: CCL: openbabel Message-Id: <-38786-090306152237-826-vDpx8FKaL3zOS5txcu0HxQ : server.ccl.net> X-Original-From: Adam Tenderholt Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1 Date: Fri, 6 Mar 2009 12:22:08 -0800 MIME-Version: 1.0 Sent to CCL by: Adam Tenderholt [atenderholt.:.gmail.com] Is this on Linux? Mac? What version of openbabel are you trying to install? If this is Linux, what distribution are you using? What directory is everything being installed to? Lots of questions that need to be answered before people can help... On Fri, Mar 6, 2009 at 3:22 AM, Kamel Mansouri kamel_mansouri[]yahoo.fr wrote: > hello every body, > i'm trying to use openbabel to convert files from different formats, but i > didn't found any binary file for 32 byte i386, so i compiled the sources, > but still not able to run the program because of an unfound library and im > getting this error message: > babel: error while loading shared libraries: libopenbabel.so.1: cannot open > shared object file: No such file or directory > > if some one already have a binary file or can give solution with this > library,please help!! > thanx > > > From owner-chemistry@ccl.net Fri Mar 6 17:52:00 2009 From: "Molina Jos Ramon jmolina(!)unsa.edu.ar" To: CCL Subject: CCL:G: How print overlap matrix in G03 Message-Id: <-38787-090306131023-27149-WrbFEJdcNKR4zhkWnAt2bw(a)server.ccl.net> X-Original-From: "Molina Jos Ramon" Date: Fri, 6 Mar 2009 13:10:18 -0500 Sent to CCL by: "Molina Jos Ramon" [jmolina*unsa.edu.ar] Dear All: I want to obtein the overlap matrix (S) in the output file of the gaussian 03 program, who can give me some advice to make gaussian 03 print this matrix. or which program can print it. I obtein the rwf file with sentence %rwf=rwf_file_name.rwf How to use rwfdump to extract the overlapmatrix? Best Wish! Jos