From owner-chemistry@ccl.net Wed Nov 7 02:25:01 2007 From: "Eduard Matito ematito()gmail.com" To: CCL Subject: CCL:G: compiling gaussian in Intel Mac Message-Id: <-35565-071107021424-22903-+oVlbHnDpQb91BYMCNvVHA{}server.ccl.net> X-Original-From: Eduard Matito Content-Type: multipart/alternative; boundary=Apple-Mail-2--851498546 Date: Tue, 6 Nov 2007 13:19:09 +0100 Mime-Version: 1.0 (Apple Message framework v752.3) Sent to CCL by: Eduard Matito [ematito:+:gmail.com] --Apple-Mail-2--851498546 Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=US-ASCII; delsp=yes; format=flowed Hi, Has anyone succeed compiling Gaussian03 in a Mac with Intel processor? I'm currently using unix version of Gaussian. Any hint will be very welcome. Anybody knows if Mac version for Gaussian is only for powerPC? Thanks in advance, Eduard -- Eduard Matito Postdoctoral Researcher Lundbeck Foundation, Center for Theoretical Chemistry University of Aarhus, Aarhus (Denmark) http://lctc.dcmedia.dk/index.php?id=69 --Apple-Mail-2--851498546 Content-Transfer-Encoding: quoted-printable Content-Type: text/html; charset=ISO-8859-1

Hi,=A0

Has anyone = succeed compiling Gaussian03 in a Mac with Intel processor? I'm = currently using unix version of Gaussian. Any hint will be very = welcome.=A0

Anybody knows if Mac version for Gaussian is only = for powerPC?

Thanks in = advance,

Eduard

Eduard Matito

Postdoctoral = Researcher

Lundbeck Foundation, Center for = Theoretical Chemistry

University of Aarhus, = Aarhus (Denmark)

http://lctc.dcmedia.dk/i= ndex.php?id=3D69

= --Apple-Mail-2--851498546-- From owner-chemistry@ccl.net Wed Nov 7 09:32:01 2007 From: "Warren DeLano warren:_:delsci.com" To: CCL Subject: CCL: looking for a software for displaying the molecular structures Message-Id: <-35566-071107022957-25857-cKobmiCCY5LrWMnaphiI3g(a)server.ccl.net> X-Original-From: "Warren DeLano" Content-class: urn:content-classes:message Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset="us-ascii" Date: Tue, 6 Nov 2007 22:56:25 -0800 MIME-Version: 1.0 Sent to CCL by: "Warren DeLano" [warren|,|delsci.com] Not sure, but PyMOL can get close: http://pymol.sf.net/pmimag/atomic.png =20 However, it does take a bit of tweaking: set_color nitrogen, [0.6, 0.7, 1.0] fragment arg as spheres bg white show sticks set sphere_scale, 0.2 set stick_radius, 0.08 set stick_color, grey30 label not hydro, elem color grey90, elem c set label_color, black set antialias,3 set ray_trace_mode,1 viewport 400 zoom complete=3D1 ray http://pymol.sf.net open source code some builds are free > -----Original Message----- > From: owner-chemistry]=[ccl.net [mailto:owner-chemistry]=[ccl.net]=20 > Sent: Tuesday, November 06, 2007 6:58 AM > To: Warren DeLano > Subject: CCL: looking for a software for displaying the=20 > molecular structures >=20 >=20 > Sent to CCL by: "Chunsen Li" [chunsen_li!A!yahoo.com.cn] > Hi , >=20 > I want know which software can display the molecular=20 > structures as shown in Figure 1 of Angew. Chem. Int. Ed.=20 > 2005, 44, 2939. > The bond in the structure is shown as single line and the=20 > labels can be add in the center of the atoms freely. In=20 > addition, the atoms can be in different patterns and colors.=20 > The similar picture and be found from http://qc.physto.se/home.htm. >=20 > Which software can do this? Is it free of charge? >=20 > Thank you. >=20 >=20 > Chunsen Li > Center for Theoretical Chemistry, Department of Chemistry,=20 > Xiamen University, Xiamen, 361005, China.=20 > Tel.: 86-592-2180418 Fax: 86-592-2184708 > email: lics01]-[xmu.edu.cn chunsen_li]-[yahoo.com.cn 2007-10-30 >=20 >=20 >=20 > -=3D This is automatically added to each message by the mailing=20 > script =3D- To recover the email address of the author of the=20 > message, please change the strange characters on the top line=20 > to the ]=[ sign. You can also look up the X-Original-From: line=20 > in the mail header. >=20>=20>=20 > Subscribe/Unsubscribe:=20>=20>=20> Conferences:=20 > http://server.ccl.net/chemistry/announcements/conferences/ >=20 > Search Messages: http://www.ccl.net/htdig (login: ccl,=20 > Password: search) >=20>=20>=20 > -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+ > -+-+-+-+-+ >=20 >=20 >=20 >=20 >=20 >=20 >=20 From owner-chemistry@ccl.net Wed Nov 7 21:55:00 2007 From: "Steven ccl/a\mail.sioc.ac.cn" To: CCL Subject: CCL: Requesting software Message-Id: <-35567-071107211121-26711-rd8ELvMq2lQkuN0FHuevVQ|*|server.ccl.net> X-Original-From: "Steven" Content-Type: multipart/alternative; boundary="=====003_Dragon632777053611_=====" Date: Thu, 8 Nov 2007 09:39:06 +0400 Mime-Version: 1.0 Sent to CCL by: "Steven" [ccl*_*mail.sioc.ac.cn] This is a multi-part message in MIME format. --=====003_Dragon632777053611_===== Content-Type: text/plain; charset="gb2312" Content-Transfer-Encoding: base64 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