From sunset.cse.nau.edu!jpa@netcom.com Tue Sep 7 19:50:27 1993 From: jpa@sunset.cse.nau.edu (John Abe) Date: Tue, 7 Sep 1993 14:43:24 MST To: hyperchem@autodesk.com Subject: subscribing - new member Hello. My name is John Abe, and I am a computer science intern for the Northern Arizona University Department of Chemistry. I am utilizing HyperChem's DDE capabilities in conjunction with VisualBasic to develop a program for departmental usage here at NAU. I have run into a specific barrier in the encoding phase; namely, is it possible to send a variable instead of a constant from the ViBasic application to HyperChem? What I specifically wish to do is dynamically manipulate the set-XXX instruction set, so that if I issued the command 'set-bond-length' I could then dynamically change the bond length of a molecule with some ViBasic tool, such as the scroll bar. A similar manipulation is accomplished on the Excel demo. I note that on page 208 of the Getting Started manual it is possible to send variable degrees to HyperChem in order to acquire new torsion bond angles. Is the same method available to VisualBasic? The essence of my problem is, then, determining whether or not it is possible to send a fluctuating value (variable) as opposed to a constant type (float). The reason I desire to know this is that in turn I might be able to develop a ViBasic package which can: 1) Change a torsion angle dynamically (scroll bar) 2) Set bond lengths dynamically (scroll bar) 3) Plot energy vs location 4) Print the results The aims of this program are very similar to the demonstrated Excel macro in the demo package. The exception is that my interface will allow one to change angles, lengths, etc., with the dynamic tools that ViBasic offers. The program has been written, it merely awaits your valuable feedback and insight. Thank you for your time, consideration, and effort. John Abe Intern to Dr. Eastman Chair, NAU Dept. Of Chemistry ________________________________________________________________________ From hyper!slee@autodesk.com Wed Sep 8 10:41:19 1993 From: hyper!slee@autodesk.com (Thomas Slee) Subject: Sending Visual Basic variables to HyperChem To: autodesk!jpa%sunset.cse.nau.edu@netcom.com (John Abe) Date: Wed, 8 Sep 93 10:02:47 EDT Cc: autodesk!hyperchem@netcom.com (HyperChem e-mail group) John Abe writes... | Is it possible to send a variable instead of a constant from the ViBasic | application to HyperChem? | | What I specifically wish to do is dynamically manipulate the set-XXX | instruction set, so that if I issued the command 'set-bond-length' | I could then dynamically change the bond length of a molecule with some | ViBasic tool, such as the scroll bar. Yes you can do this, as follows: SendString$ = "[set-bond-length " & Str$(Length!) & " ]" Control.LinkExecute SendString$ where Control is, of course, whatever control is holding the conversation with HyperChem. Note that the whole command that gets sent to HyperChem has to be a string, so you need the Str$ function to take the string equivalent of your numerical variable. Other than that, the only thing you have to watch for is the spaces (note the one after set-bond-length) and then you should be okay. Hope this helps, Tom ________________________________________________________________________ From orgc.tu-graz.ac.at!ZUEGG@netcom.com Thu Sep 9 06:00:35 1993 To: hyperchem@autodesk.com From: "Johannes Zuegg" Organization: Universtity of Technology, Graz (A) Date: Thu, 9 Sep 1993 10:27:03 MEZ-1 Subject: Hyperchem - Script and Source code Hi Hyperchem-User, I have the Hyperchem version 2.0 and want to do some conformational search. As I want to retrieve some special data and to use them for other calculation, I try to do it with the DDE-connection in windows. As I have already written some analysis-method in Pascal and I get some other in C, I am looking for some source code in Pascal (if possible some objects in Borland Pascal) doing the DDE-communication with HyperChem and/or scripts (codes) for conformational searches. Anfortunately, I don't have Visual Basic. Are there places (Ftp - nodes), where I can find some public scripts or codes? Thanks in advance Johannes ...................................................................... Johannes Zuegg Institute for Organic Chemistry University of Technology, Graz Tel : ++43-316-873-8246 Stermayrgasse 16 Fax : ++43-316-81 10 57 A-8010 Graz, Austria E-Mail : Zuegg@Orgc.Tu-Graz.Ac.At ...................................................................... ________________________________________________________________________ From autodesk!autodesk.com!mdavies@netcom.com Thu Sep 9 17:30:49 1993 From: mdavies@autodesk.com (Mark Davies) Subject: Dihedral Searching To: hyperchem@autodesk.com Date: Thu, 9 Sep 93 13:31:02 PDT Hi, Lots of people of the past few months have been asking for scripts that perform conformational searching .... well here's some examples that were written some time ago by Graham Hurst at HyperCube. The following are excel files that can be used to perform dihedral and torsion angle mapping. The files are given as example only and Autodesk make no claims as to the accuracy or correctness. Enjoy :-) --------------------------------------- daihedral.xls Maps a surface for any two torsion angles. First angle is called Phi and the second is called Psi (name selected). The results are shown using excel. torsion.xls Plots a a contour of the energy for a given torsion angle. There are 3 uuencoded files that follow ..... (To get the original files .. binary formats .. use the uudecode program .. found on most unix machines .. uudecode file That's all) <----------------------------- cut here --------------------> begin 644 dihedral.xlm M"00& 0 #V!5P ( +36%R:R!$879I97,@(" @(" @(" @(" @(" @(" @ M( L", )! 6 3,- #]$0 ,B< ((V "P0P -E0 "1@ "?; MZ7L ,N' !" ( Y 0, ( 9 - ( 0 . ( 0 / ( 0 0 @ _*GQ MTDUB4#\1 ( B ( J ( K ( !? 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end <----------------------------- cut here --------------------> begin 644 torsion.xls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end ________________________________________________________________________ From autodesk!autodesk.com!uucp@netcom.com Mon Sep 13 15:54:31 1993 Date: Mon, 13 Sep 93 13:34:05 EDT From: Alan Schick Subject: pi MO contours To: hyperchem@autodesk.com Dear users, I have Hyperchem 3.0 which at present I am using for some relatively mundane MO calculations to present to an undergraduate Phys Chem class. I am attempting to generate some orbital contour plots for conjugated pi systems (specifically, all-trans hexatriene and benzene). I seem to be having a problem when viewing the plots: (a) With the orientation of the molecules edge-on, so that one can view directly the pi-orbital node coincident with the molecular plane, the orbitals look exactly as I would expect them to. For example, the various pi orbitals of hexatriene have the expected 0,1,...5 nodal planes perpendicular to the chain axis. However,... (b) With the molecules oriented to view from above (viewing direction normal to molecular plane), the pi orbitals look more like they should for the next higher orbital. For example, the lowest energy MO [combination phi(1)+phi(2)+...+phi(6), phi(n) being the nth pi atomic orbital of either hexatriene or benzene] appears to have one nodal plane perpendicular to the chain axis (hexatriene) or to the molecular plane (benzene). This appears to happen consistently with the Huckel, AM1 and PM3 calcs. It's been a little too long since I thought about this stuff, so my first impression is that I have forgotten something. But I can't figure out what that something would be. Is there something I'm not understanding about the computaion of the contour plots, or is hyperchem exhibiting some kind of erroneous glitch here? BTW: The sigma orbitals look fine, viewed from any orientation. Thanks for any advice/answers, Alan ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ G. Alan Schick ,/\ ramspec@vtvm1.cc.vt.edu Assistant Professor ,/ `\/`'\ Voice: 703-231-8215 Dept. of Chemistry ,/\/ / Fax: 703-231-3255 Virginia Tech ,/ <_ ._. Blacksburg, VA 24061-0212 / `\ / / ,/\_ _/' `-`-\ |/ ,/' `_'_' * Blacksburg \_> ' ,/' \__>_/\ +----------------------------------------------+ ________________________________________________________________________ From hyper!slee@autodesk.com Mon Sep 13 18:27:02 1993 From: hyper!slee@autodesk.com (Thomas Slee) Subject: Re: pi MO contours To: autodesk!RAMSPEC%VTVM1.CC.VT.EDU@netcom.com (Alan Schick) Date: Mon, 13 Sep 93 16:12:57 EDT Cc: autodesk!hyperchem@netcom.com (HyperChem e-mail group) Alan Schick writes (abbreviated) ... | | Dear users, | | I have Hyperchem 3.0 which at present I am using for some relatively | mundane MO calculations to present to an undergraduate Phys Chem | class. I am attempting to generate some orbital contour plots for | conjugated pi systems (specifically, all-trans hexatriene and benzene). | I seem to be having a problem when viewing the plots: | | (b) With the molecules oriented to view from above (viewing direction | normal to molecular plane), the pi orbitals look more like they should | for the next higher orbital. For example, the lowest energy MO | [combination phi(1)+phi(2)+...+phi(6), phi(n) being the nth pi atomic | orbital of either hexatriene or benzene] appears to have one nodal | plane perpendicular to the chain axis (hexatriene) or to the molecular | plane (benzene). This appears to happen consistently with the | Huckel, AM1 and PM3 calcs. | Dear Alan, The problem here is one of offset. Basically, HyperChem plots through the centre of mass of the molecule (so, in the molecular plane when you are looking at benzene), unless you have set an offset in the Grid dialog box (under a button on the Orbital dialog box). Then it sets its contours (again, unless you explicitly say otherwise) by finding the minimum value on the grid, the maximum, and spacing the contours evenly between the two. With your benzene and hexatriene plots, the only values on the grid in the molecular plane are noise, and what you get makes little sense (as you found). If you set a plane offset of, say 0.5 or 1 A (in fact, just about anything!) then you should get the correct behaviour. Tom -- Tom Slee Hypercube, Inc., #7-419 Phillip St., Waterloo, Ont. N2L 3X2 Internet: slee@hyper.com Tel. (519) 725-4040 ________________________________________________________________________ From chemistry-request@osc.edu Tue Sep 14 03:36:56 1993 From: msjones@whale.st.usm.edu (Michael Sean Jones) Subject: HyperChem Parameters To: CHEMISTRY@osc.edu (chemlist) Date: Mon, 13 Sep 1993 17:31:58 +22304916 (CDT) Dear Netters, I am a student at the University of Southern Mississippi using HyperChem to model a 99 residue peptide. I am attempting to find its conformation of lowest energy. I attempted the minimization using the AMBER force field doing a geometry optimization using distance dependent options. Is this the best method to use to minimize the structure? If anyone knows more about this please let me know. I am anxiously trying many different methods to no avail. Please send any suggestion to me at my address below. Thanks in advance. Mike msjones@wave.st.usm.edu --- Administrivia: This message is automatically appended by the mail exploder: CHEMISTRY@osc.edu --- everyone CHEMISTRY-REQUEST@osc.edu --- coordinator OSCPOST@osc.edu send help from chemistry Anon. ftp kekule.osc.edu CHEMISTRY-SEARCH@osc.edu --- search the archives, read help.search file first --- ________________________________________________________________________ From autodesk!autodesk.com!uucp@netcom.com Wed Sep 15 17:49:40 1993 Date: Mon, 13 Sep 93 13:34:05 EDT From: Alan Schick Subject: pi MO contours To: hyperchem@autodesk.com Hi again, Thanks to Tom Slee and Henryette Roth for answering my message below. I have been straightened out on the subject and have figured out the rather fortuitous reason for my confusion, which I will share, for what it's worth. First an abbreviated form of the original question: ----------------------------Original message---------------------------- I have Hyperchem 3.0 which at present I am using for some relatively mundane MO calculations to present to an undergraduate Phys Chem class. I am attempting to generate some orbital contour plots for conjugated pi systems (specifically, all-trans hexatriene and benzene). I seem to be having a problem when viewing the plots: (a) With the orientation of the molecules edge-on, so that one can view directly the pi-orbital node coincident with the molecular plane, the orbitals look exactly as I would expect them to. For example, the various pi orbitals of hexatriene have the expected 0,1,...5 nodal planes perpendicular to the chain axis. However,... (b) With the molecules oriented to view from above (viewing direction normal to molecular plane), the pi orbitals look more like they should for the next higher orbital. For example, the lowest energy MO [combination phi(1)+phi(2)+...+phi(6), phi(n) being the nth pi atomic orbital of either hexatriene or benzene] appears to have one nodal plane perpendicular to the chain axis (hexatriene) or to the molecular plane (benzene). This appears to happen consistently with the Huckel, AM1 and PM3 calcs. BTW: The sigma orbitals look fine, viewed from any orientation. --------------------end of original message-------------------------- The answer lies in the offset value given to the Compute Orbitals Grids dialogue box. Apparently the method displays contours corresponding to the cross section of the orbital through a plane parallel to the viewing screen. With the offset set to zero (default), the plane includes the center of mass, which for planar molecules such as benzene and hexatriene, also corresponds to the nodal plane of the pi system. Nominally then, the contour plot should show nothing. Apparently my problem was that somehow I managed to get (fortuitously) both benzene and hexatriene to be tilted a bit out of plane with respect to the viewing screen (small rotation around Y). Hence, with the offset set to zero, the contour plane sampled the orbital above the molecular plane on one half of the molecule and below the plane on the other half, thereby giving me a perfectly reasonable looking orbital contour with one-too-many nodes in it! Twas a silly mistake. Happy contour viewing! Alan ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ G. Alan Schick ,/\ ramspec@vtvm1.cc.vt.edu Assistant Professor ,/ `\/`'\ Voice: 703-231-8215 Dept. of Chemistry ,/\/ / Fax: 703-231-3255 Virginia Tech ,/ <_ ._. Blacksburg, VA 24061-0212 / `\ / / ,/\_ _/' `-`-\ |/ ,/' `_'_' * Blacksburg \_> ' ,/' \__>_/\ +----------------------------------------------+ ________________________________________________________________________ From itr1.p.lod.edu.pl!ppaneth1@netcom.com Thu Sep 16 05:45:44 1993 From: Piotr Paneth To: hyperchem@autodesk.com Subject: HYPERCHEM under WINDOWS NT Date: Thu, 16 Sep 1993 10:18:02 +0200 (MESZ) Hi, I've just installed Windows NT on PC and the HYperchem 3.0 program won't start. The message says the hardware lock is not present. Evidently, new operating system adresses lpt1 port differently. Does anyone know how to deal with this problem? Piotr ************************************************************************* Piotr Paneth Ph.D., D.Sc. Professor and Vice-chairman Department of Chemistry Technical University of Lodz Zwirki 36, 90-924 Lodz, Poland phone: (+48 42) 31-31-95 fax: (+48 42) 36-02-46 e-mail: ppaneth1@plearn.bitnet or ppaneth1@itr1.p.lod.edu.pl ************************************************************************* ________________________________________________________________________ From autodesk!acad1.cs.upei.ca!PALMERG@netcom.com Thu Sep 16 12:02:35 1993 Date: Thu, 16 Sep 1993 11:25:53 -0400 (AST) From: PALMERG@upei.ca Subject: HyperChem3/Visual Basic To: hyperchem@autodesk.com I have HyperChem3 for Windows. Can this be driven by Visual Basic for DOS or does it require Visual Basic for Windows? Dr. Glenn Palmer e-mail : PALMERG@UPEI.CA FAX : (902) 892-5637 ________________________________________________________________________ From autodesk!autodesk.com!uucp@netcom.com Thu Sep 16 13:11:08 1993 Date: Thu, 16 Sep 93 13:11:08 -0400 From: autodesk!autodesk.com!uucp@netcom.com Hi, I've installed Windows NT on a PC on which I used to run Hyperchem v.3. Unfortunately, the program cannot be used now; the message about missing harware lock appears, although it is present. Evidently, this is a result of different addressing of LPT ports by the new operating system. Any suggestions how to overcome the problem? thanks, Piotr ======================================================================== Piotr Paneth Ph.D., D.Sc. Professor and Vice-chairman Department of Chemistry Technical University of Lodz Zwirki 36, 90-924 Lodz, POLAND voice: (+48-42) 31-31-95 fax: (+48-42) 36-02-46 telex: 885452 ITR PL e-mail: ppaneth1\plearn.edu.pl ======================================================================== ________________________________________________________________________ From autodesk!autodesk.com!uucp@netcom.com Thu Sep 16 13:54:06 1993 Date: Thu, 16 Sep 93 10:36:23 EDT From: "A. Schick" Subject: vibrational animations To: hyperchem users group Greetings Hyperchemmers, Does anyone know of a method by which the vibrational animations generated by Hyperchem 3.0 can be captured to some generic animation file (e.g., QuickTime movie)? I'd like to be able to show such animations in class using our department's projection monitor, but I don't want to "break down" my computer each time so I can run Hyperchem in the classroom. I don't think this would be a violation of the software license, since it isn't really any different than reporting other data generated by Hyperchem. Thanks, Alan ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ G. Alan Schick ,/\ ramspec@vtvm1.cc.vt.edu Assistant Professor ,/ `\/`'\ Voice: 703-231-8215 Dept. of Chemistry ,/\/ / Fax: 703-231-3255 Virginia Tech ,/ <_ ._. Blacksburg, VA 24061-0212 / `\ / / ,/\_ _/' `-`-\ |/ ,/' `_'_' * Blacksburg \_> ' ,/' \__>_/\ +----------------------------------------------+ ________________________________________________________________________ From hyper!hurst@autodesk.com Thu Sep 16 14:02:15 1993 Date: Thu, 16 Sep 93 12:19:39 -0400 From: hyper!hurst@autodesk.com (Graham Hurst) To: PALMERG@upei.ca Subject: Re: HyperChem3/Visual Basic Cc: autodesk!hyperchem@netcom.com Glenn Palmer asks: > I have HyperChem3 for Windows. Can this be driven by Visual Basic > for DOS or does it require Visual Basic for Windows? > Dr. Glenn Palmer > e-mail : PALMERG@UPEI.CA > FAX : (902) 892-5637 The only way to drive HyperChem for Windows from another program is via Windows DDE (Dynamic Data Exchange), and I doubt that VB for DOS can use Windows DDE. I think you'd need VB for Windows or another DDE-suporting app with a programming language (Word for Windows and Excel spring to mind). Hope this helps, Graham ------------ Graham Hurst Hypercube Inc, 7-419 Phillip St, Waterloo, Ont, Canada N2L 3X2 (519)725-4040 internet: hurst@hyper.com ________________________________________________________________________ From hyper!slee@autodesk.com Thu Sep 16 19:53:21 1993 From: hyper!slee@autodesk.com (Thomas Slee) Subject: HYPERCHEM under WINDOWS NT To: autodesk!hyperchem@netcom.com (HyperChem e-mail group) Date: Thu, 16 Sep 93 14:33:09 EDT Dear HyperChemists, Piotr Paneth writes... | |Hi, |I've just installed Windows NT on PC and the HYperchem 3.0 program |won't start. The message says the hardware lock is not present. |Evidently, new operating system adresses lpt1 port differently. |Does anyone know how to deal with this problem? |Piotr | Let me give a general update on NT. NT on Intel machines should run enhanced mode Windows apps (of which HyperChem is one). NT on RISC machines is said to run only standard mode Windows apps, so that HyperChem for Windows will not run. There is indeed a problem with the hardware lock under NT, and you have diagnosed the situation correctly. Rainbow Technologies, manufacturer of the hardware lock, are sending me a device driver which you can install as a workaround. I will arrange for a copy to be forwarded to you as soon as I receive it. >From what I hear, HyperChem for Windows does run under OS2 2.1, and Rainbow tell me that they are not aware of problems with the hardware lock on this operating system. I would be interested to hear from anybody who has tried these non-native operating systems as to what the performance is like. Tom Slee -- Tom Slee Hypercube, Inc., #7-419 Phillip St., Waterloo, Ont. N2L 3X2 Internet: slee@hyper.com Tel. (519) 725-4040 ________________________________________________________________________ From halcyon.com!jerome@netcom.com Fri Sep 17 09:29:06 1993 Date: Fri, 17 Sep 1993 05:37:59 -0700 (PDT) From: Jerome Graham Subject: Will HyperChem run on OS/2 2.1? To: HyperChem Support Hello, Will HyperChem ver. 3.0 run on OS/2 2.1? Will the hardware lock work also? If not, do you know when AutoDesk intends to come out with a version that does? Thank you, Jerome ________________________________________________________________________ From autodesk!hyper!slee@hyper Fri Sep 17 13:44:10 1993 From: autodesk!hyper!slee@hyper.uucp (Thomas Slee) Subject: HYPERCHEM under WINDOWS NT To: hyperchem@autodesk.uucp (HyperChem e-mail group) Date: Thu, 16 Sep 1993 14:33:09 -0400 Dear HyperChemists, Piotr Paneth writes... | |Hi, |I've just installed Windows NT on PC and the HYperchem 3.0 program |won't start. The message says the hardware lock is not present. |Evidently, new operating system adresses lpt1 port differently. |Does anyone know how to deal with this problem? |Piotr | Let me give a general update on NT. NT on Intel machines should run enhanced mode Windows apps (of which HyperChem is one). NT on RISC machines is said to run only standard mode Windows apps, so that HyperChem for Windows will not run. There is indeed a problem with the hardware lock under NT, and you have diagnosed the situation correctly. Rainbow Technologies, manufacturer of the hardware lock, are sending me a device driver which you can install as a workaround. I will arrange for a copy to be forwarded to you as soon as I receive it. >From what I hear, HyperChem for Windows does run under OS2 2.1, and Rainbow tell me that they are not aware of problems with the hardware lock on this operating system. I would be interested to hear from anybody who has tried these non-native operating systems as to what the performance is like. Tom Slee -- Tom Slee Hypercube, Inc., #7-419 Phillip St., Waterloo, Ont. N2L 3X2 Internet: slee@hyper.com Tel. (519) 725-4040 ________________________________________________________________________ From psipsy.uct.ac.za!CHUCK@netcom.com Wed Sep 29 22:57:20 1993 To: hyperchem@autodesk.com From: "Marais, Charles F. , Dr" Date: Wed, 29 Sep 1993 10:50:01 SAST-2 Subject: Minimum Config on SGI Hi All We're thinking of getting an SGI workstation in order to run Hyperchem - What is the minimum configuration that we'll need ? Info on pitfalls and any other stuff we need to know will also be most welcome. Thanks Charles Charles Marais Department of Chemistry University of Cape Town Private Bag Rondebosch chuck@uctvax.uct.ac.za South Africa 7700 chuck@psipsy.uct.ac.za ------------------------------------------------------------------