From chemistry-request@server.ccl.net Sun Apr 21 06:20:16 2002 Received: from hotmail.com ([64.4.20.206]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g3LAKFA29881 for ; Sun, 21 Apr 2002 06:20:15 -0400 Received: from mail pickup service by hotmail.com with Microsoft SMTPSVC; Sun, 21 Apr 2002 03:20:01 -0700 X-Originating-IP: [61.171.45.17] From: "song yunlong" To: Subject: solutions about how to execute the InsightII software from a PC desktop Date: Sun, 21 Apr 2002 18:17:25 +0800 MIME-Version: 1.0 X-Mailer: MSN Explorer 7.00.0021.1900 Content-Type: multipart/alternative; boundary="----=_NextPart_001_0000_01C1E960.C9F08580" Message-ID: X-OriginalArrivalTime: 21 Apr 2002 10:20:01.0428 (UTC) FILETIME=[189C6D40:01C1E91E] ------=_NextPart_001_0000_01C1E960.C9F08580 Content-Type: text/plain; charset="gb2312" Content-Transfer-Encoding: quoted-printable Dear sir, I want to execute the InsightII software installed in SGI O2 working stat= ion from a PC machine. I use Exceed software to login to the SGI O2 machine. This is smoothly. H= owever, when I tried to =20 run the InsightII software, something happened. The system response as fo= llows: IRIS1 3% InsightII =20 Loading InsightII using OpenGL graphics Copyright 2000 Molecular Simulations -------------------------------------- Licensed by Molecular Simulations to =20 ************************** -------------------------------------- NLS: 1 License(s) for Insight checked Out Loading internal data files Xlib: extension =A1=B0GLX=A1=B1 missing on display =A1=B0xxx.x.xxx.xx:0.0= ." (which is the IP address of my PC ) Couldn=A1=AFt get initial visual in app-init-display IRIS 4% It seems that I must install some files about OpenGL with Xlib in order t= o display the interface of =20 InsightII. I have tried this by logging to another SGI Indigo 2 machine, = there is nothing wrong. Where could I download and install the necessary files so that I can do t= hat? Can you kindly provide me some solutions about how to execute the Insight= II software from a PC desktop. Besides, The InsightII software is multiple user supported. Thanks in advance! Song Yunlong, Ph.D songyunlong@hotmail.com=B4=D3=CD=F8=D5=BE=B5=C3=B5=BD=B8=FC=B6=E0=D0=C5=CF= =A2=A1=A3MSN Explorer =C3=E2=B7=D1=CF=C2=D4=D8:http://explorer.msn.com/lc= cn ------=_NextPart_001_0000_01C1E960.C9F08580 Content-Type: text/html; charset="gb2312" Content-Transfer-Encoding: quoted-printable
Dear sir,
I want to execute the InsightII software installed in SGI O2 = working station from a PC machine.
I use Exceed software to lo= gin to the SGI O2 machine. This is smoothly. However, when I tried to
run the InsightII software, something happened. The system respo= nse as follows:
 

IRIS1 3%  InsightII=

Loading InsightI= I using OpenGL graphics

Copyright  <C> = 2000 Molecular Simulations

--------------------------------------

Licensed by Molecular Simulations to

**************************<= /FONT>

------------------= --------------------

NLS: 1 License(s) for Insight checked Out

Loading internal data files

<= P class=3DMsoNormal style=3D"MARGIN: 0cm 0cm 0pt">Xlib: extension =A1=B0GLX=A1=B1 missi= ng on display =A1=B0xxx.x.xxx.xx:0.0." (which is the IP address of my PC = )

Couldn=A1=AFt ge= t initial visual in app-init-display

IRIS 4%

 
It seems that I must install some files about OpenGL with Xlib in order = to display the interface of
InsightII. I have tried this by l= ogging to another SGI Indigo 2 machine, there is nothing wrong.
Where could I download and install the necessary files so that I can do= that?
 
 
Can you kindly prov= ide me some solutions about how to execute the InsightII software from a = PC desktop.
Besides, The InsightII software is multiple user s= upported.
 
Thanks in advance!
&nbs= p;
Song Yunlong, Ph.D
 
<= /HTML>
=B4=D3=CD=F8=D5=BE=B5=C3=B5=BD=B8=FC=B6=E0=D0=C5= =CF=A2=A1=A3MSN Explorer =C3=E2=B7=D1=CF=C2=D4=D8=A3=BAhttp://explorer.msn.com/lccn

------=_NextPart_001_0000_01C1E960.C9F08580-- From chemistry-request@server.ccl.net Sun Apr 21 08:41:09 2002 Received: from igc.phys.chem.ethz.ch ([129.132.218.130]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g3LCf8A31077 for ; Sun, 21 Apr 2002 08:41:09 -0400 Received: from igc.phys.chem.ethz.ch (dua131027.dialup800-stat.ethz.ch [172.16.131.27]) by igc.phys.chem.ethz.ch (8.11.4/8.11.4) with ESMTP id g3LCevx12682 for ; Sun, 21 Apr 2002 14:40:58 +0200 (MEST) Message-ID: <3CC2B41D.64E2C7A0@igc.phys.chem.ethz.ch> Date: Sun, 21 Apr 2002 14:44:13 +0200 From: Stefan Portmann X-Mailer: Mozilla 4.73 [en] (Win98; U) X-Accept-Language: en,de-CH,de-DE MIME-Version: 1.0 To: CCL CCL Subject: WATOC'02: Early Bird Discount! Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Dear Madam or Sir 6th WORLD CONGRESS OF THEORETICALLY ORIENTED CHEMISTS (WATOC'02) August 4-9, 2002, Palazzo dei Congressi, Lugano, Switzerland Theory, Computation and Information Science in Chemistry, Biochemistry and Materials Science Don't miss the opportunity to get the early bird discount (Deadline: April 30 2002) and register immediately at http://www.watoc02.ch Please also have a look at the information regarding local expenses in the section "Budgetary Considerations". We offer low cost housing possibilities, check it out! A first detailed program is available. Abstracts for poster presentations can still be submitted. In order to give the poster sessions optimal visibility, an award program was established. The posters will be rated both on popular and on jury votes. There will be a two hour award ceremony on Thursday evening. The poster sessions will be endowed by Gaussian, Inc.. We are looking forward to see you in Lugano. Hans Peter Luethi and Stefan Portmann ETH Zurich From chemistry-request@server.ccl.net Sun Apr 21 12:49:33 2002 Received: from hkusua.hku.hk ([147.8.2.91]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g3LGnWA01770 for ; Sun, 21 Apr 2002 12:49:32 -0400 Received: from webmailb.hku.hk (webmailb.hku.hk [147.8.235.101]) by hkusua.hku.hk (8.11.4/8.11.4) with ESMTP id g3LGnLN16573 for ; Mon, 22 Apr 2002 00:49:21 +0800 (HKT) X-WebMail-UserID: h9531257@hkusua.hku.hk Date: Mon, 22 Apr 2002 00:49:21 +0800 Sender: h9531257 From: h9531257 To: CHEMISTRY@ccl.net X-EXP32-SerialNo: 00002816 Subject: Program to resolve colse peaks Message-ID: <3CD02D0A@webmailb.hku.hk> Mime-Version: 1.0 Content-Type: text/plain; charset="ISO-8859-1" Content-Transfer-Encoding: 7bit X-Mailer: WebMail (Hydra) SMTP v3.61.08 Dear all, Does anyone know that is there any program that can be used to resolve very close absorption peaks? Say, the splitting of a very board absorption peak? The oscialltor strength and peak energy could be roughly be estimated as the input information. Thanks anyone who can help. Andy From chemistry-request@server.ccl.net Sun Apr 21 21:15:48 2002 Received: from carbon.chem.ucla.edu ([128.97.35.55]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g3M1FmA05982 for ; Sun, 21 Apr 2002 21:15:48 -0400 Received: from silicon.chem.ucla.edu (silicon.chem.ucla.edu [169.232.135.10]) by carbon.chem.ucla.edu (8.11.4/8.11.4) with ESMTP id g3M1Fc622169 for ; Sun, 21 Apr 2002 18:15:39 -0700 (PDT) Received: from localhost (yunfeng@localhost) by silicon.chem.ucla.edu (8.11.1/8.11.1) with ESMTP id g3M1Fj119714 for ; Sun, 21 Apr 2002 18:15:45 -0700 (PDT) X-Authentication-Warning: silicon.chem.ucla.edu: yunfeng owned process doing -bs Date: Sun, 21 Apr 2002 18:15:45 -0700 (PDT) From: Yunfeng Hu To: Subject: programs to extract md needed force constants from g98 calculation Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hello, all I'm trying to write a force parameter file for a inhibitor with sulfite substituents. Since the major force fields do not have them, I use g98 to generate the force constants. I wonder if there are any softwares that can change g98 output into the md format force constants. Thanks! Regards, -Yunfeng