From: Ron Starkey To: hyperchem@hyper.com Subject: garbage at the end of e-mail message Date: Fri, 15 May 1998 15:15:40 -0700 (PDT) Below is an example of the garbage (this is a technical term) that I have been getting at the end of all e-mail messages from hypercube. This just started about two days ago. Ronald Starkey Chemistry Univ Wisconsin - Green Bay ---------- Forwarded message ---------- Date: Thu, 14 May 1998 23:38:18 +0200 From: Krzysztof Radacki To: hyperchem@hyper.com Subject: DDE-question X-Sender: kradacki@mail.rwth-aachen.de can somebody write how can I send a list of cartessians for atoms which are selected in HC to any DDE-server? regards Krzys Radacki Sender: listadmin@hyper.com Precedence: bulk Reply-To: Krzysztof Radacki _________________________----------------------------------------------- ------------------------- e-mail: Krys.Radacki@ac.RWTH-Aachen.DE - From: Stevie T To: ccl , Hyperchem Subject: summary of semi-empirical calculations post.... Date: Mon, 18 May 1998 11:22:10 +0100 Cheers for the replies regarding my question on dipole moments. The replies are all summarised below. My original post : Hi all... I have recently been doing some dipole moment calculations using the AM1 and PM3 semi-empirical methods in Hyperchem. I have been trying the caculations at different torsion angles and obtaining some reasonable results. However, occasionally a difference as small as 10 degrees makes the dipole moment value increase from 4D to about 4000D. Has anyone else had this problem ? What do people think of the accuracy of semi-empirical calculations for such properties as dipole moments ? Also, when the calculations were repeated under Mopac/AM1 and Mopac/PM3 in Cerius2 they yielded reasonable results. I presume this is to do with the individual ways in which the two similar methods are implemented under different packages (ie Hyperchem and Mopac). Has anyone any ideas on this or any references to work done on this ? I'm not an expert in computational chemistry, but you might want to look at an article by Storer et. al. J. Comp.Aided Mol. Design 9 (1995) 87-110 where roughly 200 AM1 and PM3 dipole moments for different neutral molecules are compared with those obtained from an alternative charge mapping method. The RMS errors reported in this article are 0.30 D and 0.26D respectively for the AM1 and PM3 semi-empirical methods. The point of the article is to offer an alternative charge model with improved accuracy. Hope this helps answer your question. Brian Williams, Chemistry, Bucknell University ===================== >From : Dr. Jose Luis Garcia de Paz Hi Mulliken charges an dipole moments when heteroatoms are included are often unreliable at PM3 level due the parametrization. They are much better at AM1 level . However PM3 geometries are usually better than the AM1 ones. Regards Jose This seems to be a bug in Hyperchem. Semiempirical dipole moments may be not perfect, but they are not that bad. In fact, 4000D molecular dipole moment would be very strange coming from any method: it implies that your molecule has two electron-sized local charges separated by almost 1000 angstrom. Or two 10e charges at 100 angstrom, etc. Regards, /Serge.P -- "I used to think the brain was the most important organ in the body, 'til I realized yeah, look what's telling me that." -- Emo Phillips mail to : S.M.Todd@chem.hull.ac.uk web-site: http://www.hull.ac.uk/php/chpsmt/ From: Maciej Turowski To: Rajiv Bendale , "HyperChem User's List" Subject: Several HyperChem 5.02 bugs Date: Mon, 18 May 1998 16:43:46 +0100 Dear Dr Bendale, Dear Users, Recently I am working with a new machine and HyperChem 5.01 (upgraded to 5.02 via Hypercube's web site). My OS are Windows NT 4.0 Workstation with Service Pack 3. I have found several bugs when working with freshly installed software. These are: I) I am trying to run a script. Exemplary one looks like this: open-file Sioh2.hin calculation-method molecular-mechanics molecular-mechanics-method mm+ optim-max-cycles 1000 optim-convergence 0.1 optim-algorithm steepestdescents do-optimization write-file Sioh2.hin open-file Siohgel.hin calculation-method molecular-mechanics molecular-mechanics-method mm+ optim-max-cycles 1000 optim-convergence 0.1 optim-algorithm steepestdescents do-optimization write-file Siohgel.hin exit-script but when the molecule is opened there is NO FURTHER ADVANCE IN COMPUTATION. The status line shows only a number of atoms in molecule that has been just opened and that's it. Normally, there should be the MM+ operation commands appearing in the status line but not in my case. Although WinNT Task Manager shows that MM+ program is working that is not truth. I see MM+ (red apple) program activated, moreover, just in the status line of OS but...nothing goes on. I even left such program for a weekend but on Monday found that nothing happened - just the number of atoms opened and nothing else. Of course - script message box still running. Such strange hang-up of the script I've found for the first time during my long work with HC. Have you ever experienced this kind of troubles? II) When doing molecular presentations in HC I am trying to copy a molecule (as a bitmap) to the clipboard. Relatively simple image, like aspirin with plotted orbitals, takes all my memory so I am not able to work with the others, by copying and pasting them. I have got 256 MB of RAM (+ 230 MB of virtual memory). Resolution of my graphic card (Diamond Fire GL 1000, 8 MB) is 1152x846. It seems very strange for me that it is taking so lot of my memory to just copy some graphics. I never experienced that having similiar resolution with only 32 MB of RAM. What do you think about it? III) PDB format of files is not completely the same as HIN format, after HIN->ENT (PDB) conversion. There are no atomic charges, no aromatic bonds nor double ones. Sometimes there are even no single bonds at all. Also there are no charges when saving from HIN as ISIS sketch or Mopac (MOL) format. How could I, therefore, correctly import calculated structures from HC to the other programs (by means of PDB format, for instance) for visualization or further calculations as well? Is there something wrong with HIN->ENT conversion? IV) When trying to open HyperChemData (after a successful installation) a message appears first: "THE PROCEDURE ENTRY POINT NOT FOUND" and below: "THE PROCEDURE ENTRY POINT GET-PROCESS-FLAGS COULD NOT BE LOCATED IN THE DYNAMIC LINK LIBRARY KERNEL32.DLL" After I confirm this message the database opens with 2247 molecules. Is there something going wrong? Hope to hear from you soon, Thank you very much for your attention, Yours sincerely, Maciej Turowski From: bendale To: Ron Starkey , hyperchem@hyper.com Subject: Re: garbage at the end of e-mail message Date: Tue, 19 May 1998 13:14:24 -0700 Dear All, I apologize for sending out messages to the news group with attachments in either UUENCODE or MIME format, that have appeared as a winmail.dat file. I am going through some 'teething' troubles with my new mail system (Outlook 98). I thank all of you for your patience and understanding. This situation has been dealt with. Ron Starkey wrote: Below is an example of the garbage (this is a technical term) that I have been getting at the end of all e-mail messages from hypercube. This just started about two days ago. Ronald Starkey Chemistry Univ Wisconsin - Green Bay ---------- Forwarded message ---------- Date: Thu, 14 May 1998 23:38:18 +0200 From: Krzysztof Radacki To: hyperchem@hyper.com Subject: DDE-question X-Sender: kradacki@mail.rwth-aachen.de can somebody write how can I send a list of cartessians for atoms which are selected in HC to any DDE-server? regards Krzys Radacki Sender: listadmin@hyper.com Precedence: bulk Reply-To: Krzysztof Radacki _________________________----------------------------------------------- ------------------------- e-mail: Krys.Radacki@ac.RWTH-Aachen.DE - From: "Sopek, Mirek" To: "'turowski@ipc.kit.ac.jp'" , Hyperchem List Server Cc: Rajiv Bendale Subject: No errors on NT Date: Tue, 19 May 1998 16:48:51 -0400 Dear Mr. Turowski, I've got your message sent to our support organization now driven by Dr Rajiv Bendale, regarding possible errors in scripting on the NT platform. (I) As I had some level of confidence in our NT implementation, I literally copied your entire script to text file (tur.scr) and I created two HIN files and I named them: Sioh2.hin and Siohgel.hin. I have made great number of test on NT systems with SP3 installed and your script runs just fine. In addition to that I tested it on Win95 system - and I do not see ANY problems. I suspect that you have somehow bad installation of our product or there is some deeper problem with your Windows NT. Some justification for serious problems with your system comes with the second problem you report - that is the memory problem of clipboard copy operation. (II) As I wrote before I suspect serious problems with your system. I could imagine memory problems when we copy to Metafile a VERY large molecule - but we did not report and do not confirm there is any problem with bitmap copy. (III) You are right writing: "PDB format of files is not completely the same as HIN format, after HIN->ENT (PDB) conversion" And this SHOULD be this way. There are many atom/molecule properties that are defined in HIN representation and are not possible for PDB. To be more specific: you mention charge. How can you represent our notion of fractional charge (that is what HIN can represent) in PDB file? Don't you know that ATOM record of PDB file formats allocates 2 symbols (digits) for the charge ? This gives you -1, 0 or +1 !!!. Similarly, the connectivity information is not obligatory in PDB. Any program that reads PDB must apply more or less sophisticated technique for building up connectivity information. You may ensure that connectivity is written to your PDB file, by following our instructions about saving to molecular files (page 66 of hyperChem Reference manual) If you want to learn about PDB file format I refer you to standard reference: http://www.pdb.bnl.gov/pdb-docs/Format.doc/Contents_Guide_21.html If you need to pass HyperChem created molecules to other programs, please use the file format that takes maximum of information from HIN file. (IV) I will try this problem as soon as possible and will post the result as soon as possible. Regards, Mirek Sopek,PhD, Senior Project Manager, HyperCube, Inc. 1115 NW 4th Street, Gainesville, FL 32601, USA tel. (352)371-7744 e-mail: sopek@hyper.com, http://www.hyper.com ---------- Dr Miroslaw Sopek President and CEO HyperCube Europe, Inc. http://www.hyper.mm.com.pl ---------------------------------------- sopek@hyper.com ------------- From: "Sopek, Mirek" To: "'Ulrich Harttig'" Cc: Hyperchem List Server Subject: RE: No errors on NT Date: Tue, 19 May 1998 20:26:20 -0400 Dear Ulrich ! I wrote about molecular presentations, not about HyperChem itself (a ChemPlus module - I believe it was what the original problem was as reported by Maciej Turowski: "... When doing molecular presentations in HC I am trying to copy a ..."). And before writing that I indeed had tested the ChemPlus module both NT and Win95. I do agree, though, that with earlier editions of HyperChem 5 we reported some problems with clipboard operations. However, there is easy way to work around. That is to choose "RGB Bitmap" as "File format" for "Setup image" in preferences. This works without causing memory problems. We need to wait until Maciej is on-line and writes back where the problem was. ("molecular presentation" - may mean that module, or that what he was actually doing in HCH5.02 !) Thanks ! Mirek Mirek Sopek,PhD, Senior Project Manager, HyperCube, Inc. 1115 NW 4th Street, Gainesville, FL 32601, USA tel. (352)371-7744 e-mail: sopek@hyper.com, http://www.hyper.com ---------- Dr Miroslaw Sopek President and CEO HyperCube Europe, Inc. http://www.hyper.mm.com.pl ---------------------------------------- sopek@hyper.com ------------- From: Ulrich Harttig To: "Sopek, Mirek" , Hyperchem List Server Subject: Re: No errors on NT Date: Tue, 19 May 1998 16:59:35 -0700 Dear Dr. Sopek (II) As I wrote before I suspect serious problems with your system. I could imagine memory problems when we copy to Metafile a VERY large molecule but we did not report and do not confirm there is any problem with bitmap copy. I do not entirely aggree with you about the bitmap copy problem. When using HyperChem 5.02 under NT 4.0, SP3, 64MB, I always get a "OUT OF MEMORY" error when using 'copy image', even with no other programs running. With HyperChem 5.1 on the same machine, however , there is no such problem ! This indicates that there is , if not general, at least under specific circumstances, a HC 5.02 problem without the system itself being at fault. Regards -- Ulrich Harttig, Ph.D. Department of Environmental and Molecular Toxicology Oregon State University, 100 Wiegand Hall, Corvallis, OR, 97331 Phone: 541-737-6514 Fax: 541-737-1877 From: Joel Polowin To: "HyperChem User's List" , "'Maciej Turowski'" Subject: RE: Several HyperChem 5.02 bugs Date: Wed, 20 May 1998 09:30:12 -0400 Maciej Turowski wrote: II) When doing molecular presentations in HC I am trying to copy a molecule (as a bitmap) to the clipboard. Relatively simple image, like aspirin with plotted orbitals, takes all my memory so I am not able to work with the others, by copying and pasting them. I have got 256 MB of RAM (+ 230 MB of virtual memory). Resolution of my graphic card (Diamond Fire GL 1000, 8 MB) is 1152x846. It seems very strange for me that it is taking so lot of my memory to just copy some graphics. I never experienced that having similiar resolution with only 32 MB of RAM. What do you think about it? There are a couple of things to check. One is the options for saving the picture-make sure that only the bitmap check box is checked, not the metafile check box. If that doesn't help enough, check the colour options in HyperChem and in your video driver. 32-bit colour for a full-screen picture involving smooth shading will take a lot more memory than for a picture with lower colour resolution. I don't know how much of that demand would be in the video memory rather than in the main memory, but you might find that changing to lower colour resolution will help. In HyperChem 5.x, there's the option for "Bitmap" vs. "RGB Bitmap"-try the former. Joel Polowin joelp@agiss.com From: "Sopek, Mirek" To: "'turowski@ipc.kit.ac.jp'" , Hyperchem List Server Subject: last problem Date: Wed, 20 May 1998 15:50:33 -0400 Dear Dr Turowski, What regards your last problem (IV), I am sorry, but we do not confirm that it really appears with current edition of HyperData. We've made a fresh new installation of Hyperdata on Windows NT 4.0 with SP3 and there are no indication of problems you've mentioned. However, because you did not specify which version of Hyperdata you had problems with, let me tell you that in the oldest version we did have some memory allocation problems that were caused by VB4 compiler/runtime. If that was the case with your HyperData - I would like to encourage you to upgrade to latest version. The price for the upgrade is about $45, and you just need your current serial number. Please contact your local dealer or sales@hyper.com to find about more details. Best regards, Mirek ---------- Mirek Sopek,PhD, Senior Project Manager, HyperCube, Inc. 1115 NW 4th Street, Gainesville, FL 32601, USA tel. (352)371-7744 e-mail: sopek@hyper.com, http://www.hyper.com ---------- Dr Miroslaw Sopek President and CEO HyperCube Europe, Inc. http://www.hyper.mm.com.pl ---------------------------------------- sopek@hyper.com ------------- IV) When trying to open HyperChemData (after a successful installation) a message appears first: "THE PROCEDURE ENTRY POINT NOT FOUND" and below: "THE PROCEDURE ENTRY POINT GET-PROCESS-FLAGS COULD NOT BE LOCATED IN THE DYNAMIC LINK LIBRARY KERNEL32.DLL" From: Ulrich Harttig To: "Sopek, Mirek" CC: Hyperchem List Server Subject: Re: No errors on NT That is to choose "RGB Bitmap" as "File format" for "Setup image" in preferences. This works without causing memory problems. You are right about this workaround. It works without memory problems. Thank your for that tip. However, it only saves the image to a file and not to the clipboard. By using 'Metafile' as option instead, the image gets copied to the clipboard (if that option is chosen)without problems. (all of the above using HyperChem 5.02, Matrox Mystique 4MB , 1152x864, True Color mode) Regards Ulrich -- Ulrich Harttig, Ph.D. Department of Environmental and Molecular Toxicology Oregon State University, 100 Wiegand Hall, Corvallis, OR, 97331 Phone: 541-737-6514 Fax: 541-737-1877 From: Maciej Turowski To: "Sopek, Mirek" CC: "'Ulrich Harttig'" , Hyperchem List Server Subject: Re: No errors on NT Date: Fri, 22 May 1998 16:25:11 +0900 Dear Sirs, I worked with HyperChem 5.02 doing presentations. NOT ChemPlus mode at all. Therefore I think I met the same problem as Dr Harttig did. Since I didn't get HC5.1 upgrade yet I cannot check it out whether it's a Hyper's bug or not. Best regards, Maciej Turowski, Ph.D Kyoto Institute of Technology Dept. Polymer Science & Technology Japan Sopek, Mirek wrote: > Dear Ulrich ! > > I wrote about molecular presentations, not about HyperChem itself (a > ChemPlus module - I believe it was what the original > problem was as reported by Maciej Turowski: > "... When doing molecular presentations in HC I am trying to copy a > ..."). > And before writing that I indeed had tested the ChemPlus module both NT > and Win95. > I do agree, though, that with earlier editions of HyperChem 5 we > reported some problems > with clipboard operations. However, there is easy way to work around. > That is to choose "RGB Bitmap" as "File format" for "Setup image" in > preferences. > This works without causing memory problems. > > We need to wait until Maciej is on-line and writes back where the > problem was. > ("molecular presentation" - may mean that module, or that what he was > actually doing in HCH5.02 !) > Thanks ! > Mirek > > Mirek Sopek,PhD, Senior Project Manager, HyperCube, Inc. > 1115 NW 4th Street, Gainesville, FL 32601, USA > tel. (352)371-7744 > e-mail: sopek@hyper.com, http://www.hyper.com > ---------- > Dr Miroslaw Sopek > President and CEO > HyperCube Europe, Inc. http://www.hyper.mm.com.pl > ---------------------------------------- sopek@hyper.com ------------- From: "Ostlund, Neil S." To: hyperchem@hyper.com Subject: News Report from Hypercube Date: Fri, 22 May 1998 12:23:19 -0400 Dear Friends Hypercube has a couple of announcements to make: 1. Scientific and Technical Support is, of course, a demanding job and supporting all you molecular modellers out there takes its toll. Rajiv Bendale has recently taken over the position of Director of Scientific Support from Krassimir Stavrev. My expectation is that Rajiv will do a beautiful job and the support you receive will be the best ever. Rajiv will help you in every way he can as will every other member of the Hypercube team. Rajiv comes to us with an excellent reputation and background. He obtained his Ph.D. in India at the University of Poona, working for Professor Shridhar Gadre in Quantum Chemistry. Professor Gadre was the organizer of the recent international conference on chemistry software in education held in India and is a prominent Indian quantum chemist. Rajiv then spent a couple of years as a Post-Doc at Case Western University here in the USA working with Professor Gilles Klopman on the design of enzyme inhibitors and other topics in molecular modeling. He then became a Research Associate with Professor Mike Zerner here at the University of Florida working on many topics in semi-empirical quantum chemistry, all relevant to our business. Professor Zerner is one of the world's experts on semi-empirical theory and is the author of the Zindo method used in HyperChem. For the last couple of years Rajiv has been in the Department of Materials Science and Engineering at the University of Florida working on bringing the methods and results of molecular modeling to material science. Rajiv brings 15 years of experience to Hypercube, in many aspects of molecular modeling, and we are very pleased to have him in the company. I am sure he will do an excellent job in providing all you with scientific and technical support. 2. Hypercube is pleased to announce that a new division of the company, Hypercube Educational Publications, has been formed to publish books centered around our software. The first book in this series is "Laboratory Experiments Using HyperChem" by Mary L. Caffery, Paul A. Dobosh, and Diane M. Richardson. This book is now available. The book is priced at $24.95 plus shipping. We can take orders immediately. I believe that the book will be of very considerable interest to everyone using HyperChem. A more complete description of the book will be appearing shortly on our web site. In the meantime, just let us know if you want to purchase copies. LABORATORY EXPERIMENTS USING HYPERCHEM The principal purpose of this book is to provide a source for college faculty members interested in including molecular modeling in their courses. Readers will find exercises that can be used in courses ranging from general chemistry to upper division biochemistry. Indeed, it even includes simple exercises for courses for non-science majors. With software like HyperChem, chemical educators have the advantage of a powerful tool that not only brings real educational value, but also has a substantial impact on how chemistry is done in the workplace. The use of molecular modeling tools should become as common in the undergraduate chemistry curriculum as a simple spectrophotometer or pH meter! A copy of the Table of Contents follows: Table of Contents Chapter 1. Building and Visualizing Molecules 1. Building Small Molecules 2. Visualizing Structure and Charge Distribution 3. Stereoisomers: Carvone and Hexahellicene 4. The Steroid Nucleus and Cholesterol 5. Alkaloids: Acetylcholine Impersonators 6. Polypeptides and Proteins 7. Nucleotides: DNA and RNA Mutation 8. Building Coordination Complexes Chapter 2. Molecular Geometry and Properties 9. Periodicity: Bond Lengths and Bond Angles 10. Valence Shell Electron Repulsion Theory and Dipole Moments 11. Ionization Energy 12. Proton Affinity 13. Electron Affinity 14. Periodicity of Bond Enthalpy 15. Structure-Stability Relationships for Alkali Metal Crown Ether Complexes 16. The Acidity of Oxoacids Chapter 3. Molecular Orbitals and Bonding 17. Exploring the Formation of Molecular Orbitals - 1 18. Exploring the Formation of Molecular Orbitals - 2 19. Fragment Molecular Orbitals: Ethene and Formaldehyde 20. Walsh Diagrams for H2X Molecules 21. The Jahn-Teller Effect Chapter 4. Conformational Analysis 22. Small Molecule Conformational Analysis by Hand 23. Small Molecule Conformation Analysis Using Macros 24. The "Peptide Bond" in N-methylacetamide 26. Stable Conformers of the Alanine Dipeptide 27. The Inversion Barrier in Ammonia and Aniline Chapter 5. Thermodynamics 28. Heats of Formation of Conjugated Hydrocarbons 29. The Heat of Combustion of Fuels 30. Dehydration of 1-Butanol and the Relative Stability of Alkenes 31. Stability of Dibenzalacetone Isomers 32. Intermolecular Hydrogen Bonding 33. Steric Energies of Cubanes: The Stability of Explosives 34. Tautomerism and Protonation of 7-Aminopyrazolo pyrimidine 35. Resonance Energy of Benzene and Hexasilabenzene 36. Flavin Redox Chemistry Chapter 6. Charge Distributions 37. Permanent Dipole Moments 38. Dipole Moment of Flexible Molecules 39. The Effect of Dielectric Medium on Rotational States 40. Charge Transfer and Excited State Dipole Moments Chapter 7. Spectroscopy 41. UV Spectra of Polycyclic Aromatic Hydrocarbons 42. Vibrational Spectra 43. The Spectra of Visual Pigments 44. Solvent Effects on Spectra Chapter 8. Molecular Dynamics 45. Molecular Reaction Movies 46. Stability of Carbocations 47. Conformation Search Techniques using Molecular Dynamics 48. Simulated Annealing 49. Langevin Dynamics 50. Intramolecular Vibrations Chapter 9. Teaching Notes and Results Suggested Courses Results Neil S. Ostlund President and CEO Hypercube, Inc. 1115 NW 4th Street Gainesville, Florida 32601 Tel: (352) 371-7744 Fax: (352) 371-3662 E-Mail: ostlund@hyper.com WWW: http://www.hyper.com From: "Sopek@Hyper.Com" To: "Maciej Turowski" Cc: Subject: Re: No errors on NT Date: Fri, 22 May 1998 20:09:53 -0400 Dear Dr Turowski, Because you now have clarified the issue of "molecular presentation" in your original mail, let me confirm that in HyperChem versions prior to 5.1 we did have some memory problems with bitmap clipboard operations. As I wrote before, there is simple workaround, i.e. of copying to bitmap file instead of directly to clipboard. However, this error has been found and eliminated later in versions 5.1 of our product line (i.e. in HyperChem Standard, Professional and Suite) Regards, Dr Miroslaw Sopek President and CEO HyperCube Europe, Inc. http://www.hyper.mm.com.pl ---------------------------------------- sopek@hyper.com ------------- -----Original Message----- From: Maciej Turowski Date: Friday, May 22, 1998 9:21 AM Subject: Re: No errors on NT >Dear Sirs, >I worked with HyperChem 5.02 doing presentations. NOT ChemPlus mode at >all. >Therefore I think I met the same problem as Dr Harttig did. >Since I didn't get HC5.1 upgrade yet I cannot check it out whether it's >a >Hyper's bug or not. > >Best regards, > >Maciej Turowski, Ph.D >Kyoto Institute of Technology >Dept. Polymer Science & Technology >Japan > >Sopek, Mirek wrote: > >> Dear Ulrich ! >> >> I wrote about molecular presentations, not about HyperChem itself (a >> ChemPlus module - I believe it was what the original >> problem was as reported by Maciej Turowski: >> "... When doing molecular presentations in HC I am trying to copy a >> ..."). >> And before writing that I indeed had tested the ChemPlus module both NT >> and Win95. >> I do agree, though, that with earlier editions of HyperChem 5 we >> reported some problems >> with clipboard operations. However, there is easy way to work around. >> That is to choose "RGB Bitmap" as "File format" for "Setup image" in >> preferences. >> This works without causing memory problems. >> >> We need to wait until Maciej is on-line and writes back where the >> problem was. >> ("molecular presentation" - may mean that module, or that what he was >> actually doing in HCH5.02 !) >> Thanks ! >> Mirek >> >> Mirek Sopek,PhD, Senior Project Manager, HyperCube, Inc. >> 1115 NW 4th Street, Gainesville, FL 32601, USA >> tel. (352)371-7744 >> e-mail: sopek@hyper.com, http://www.hyper.com >> ---------- >> Dr Miroslaw Sopek >> President and CEO >> HyperCube Europe, Inc. http://www.hyper.mm.com.pl >> ---------------------------------------- sopek@hyper.com ------------- From: Sorin "V." Filip To: HYPERCHEM-list Subject: cyclodextrine Date: Tue, 26 May 98 17:24:59 PDT Hello all again ! I am sorry for the error from my last message. That corrected one is: "I am interested in a HIN file of cyclodextrine. Do you know how can I get this ? Best regards and thanks. Sorin" *************************************** Mr. Sorin V. FILIP Institute for Isotopic and Molecular Technology Molecular Physics Department Microwave Research Group 65-103 Donath St., P.O.Box 700 RO-3400, Cluj-Napoca 5 ROMANIA Tel. : +40-64-184037 / 223 Fax. : +40-64-420042 E-mail : svfilip@L30.itim-cj.ro http://www.itim-cj.ro/~micro http://www.webspawner.com/users/SorinFilip ************************************** From: "Sopek@Hyper.Com - using Network" To: "Sorin V. Filip" Cc: Subject: Re: cyclodextrine Date: Tue, 26 May 1998 12:47:08 -0400 Hi Sorin ! I have HIN files for cyclodextrines as I was involved in modeling and making animations of these molecules. I will send them when I have them found - that may take few days ! Mirek ---- Dr Miroslaw Sopek President and CEO HyperCube Europe, Inc. http://www.hyper.mm.com.pl ---------------------------------------- sopek@hyper.com ------------- -----Original Message----- From: Sorin V. Filip To: HYPERCHEM-list Date: Tuesday, May 26, 1998 11:52 AM Subject: cyclodextrine >Hello all again ! > >I am sorry for the error from my last message. >That corrected one is: > >"I am interested in a HIN file of cyclodextrine. >Do you know how can I get this ? >Best regards and thanks. >Sorin" > >*************************************** >Mr. Sorin V. FILIP > >Institute for Isotopic and Molecular Technology >Molecular Physics Department >Microwave Research Group >65-103 Donath St., P.O.Box 700 >RO-3400, Cluj-Napoca 5 >ROMANIA > >Tel. : +40-64-184037 / 223 >Fax. : +40-64-420042 > >E-mail : svfilip@L30.itim-cj.ro > >http://www.itim-cj.ro/~micro >http://www.webspawner.com/users/SorinFilip > >************************************** From: "Sopek@Hyper.Com" To: "Maciej Turowski" Cc: Subject: Re: No errors on NT Date: Fri, 22 May 1998 20:09:53 -0400 Dear Dr Turowski, Because you now have clarified the issue of "molecular presentation" in your original mail, let me confirm that in HyperChem versions prior to 5.1 we did have some memory problems with bitmap clipboard operations. As I wrote before, there is simple workaround, i.e. of copying to bitmap file instead of directly to clipboard. However, this error has been found and eliminated later in versions 5.1 of our product line (i.e. in HyperChem Standard, Professional and Suite) Regards, Dr Miroslaw Sopek President and CEO HyperCube Europe, Inc. http://www.hyper.mm.com.pl ---------------------------------------- sopek@hyper.com ------------- -----Original Message----- From: Maciej Turowski Date: Friday, May 22, 1998 9:21 AM Subject: Re: No errors on NT >Dear Sirs, >I worked with HyperChem 5.02 doing presentations. NOT ChemPlus mode at >all. >Therefore I think I met the same problem as Dr Harttig did. >Since I didn't get HC5.1 upgrade yet I cannot check it out whether it's >a >Hyper's bug or not. > >Best regards, > >Maciej Turowski, Ph.D >Kyoto Institute of Technology >Dept. Polymer Science & Technology >Japan > >Sopek, Mirek wrote: > >> Dear Ulrich ! >> >> I wrote about molecular presentations, not about HyperChem itself (a >> ChemPlus module - I believe it was what the original >> problem was as reported by Maciej Turowski: >> "... When doing molecular presentations in HC I am trying to copy a >> ..."). >> And before writing that I indeed had tested the ChemPlus module both NT >> and Win95. >> I do agree, though, that with earlier editions of HyperChem 5 we >> reported some problems >> with clipboard operations. However, there is easy way to work around. >> That is to choose "RGB Bitmap" as "File format" for "Setup image" in >> preferences. >> This works without causing memory problems. >> >> We need to wait until Maciej is on-line and writes back where the >> problem was. >> ("molecular presentation" - may mean that module, or that what he was >> actually doing in HCH5.02 !) >> Thanks ! >> Mirek >> >> Mirek Sopek,PhD, Senior Project Manager, HyperCube, Inc. >> 1115 NW 4th Street, Gainesville, FL 32601, USA >> tel. (352)371-7744 >> e-mail: sopek@hyper.com, http://www.hyper.com >> ---------- >> Dr Miroslaw Sopek >> President and CEO >> HyperCube Europe, Inc. http://www.hyper.mm.com.pl >> ---------------------------------------- sopek@hyper.com ------------- From: cyyi@musica.mcgill.ca To: Sopek@hyper.com Cc: hyperchem@hyper.com Subject: Re: cyclodextrins Date: Tue, 26 May 98 18:01:34 -0500 Dr. Sopek I am also interested in cyclodextrins. Please send me a copy of the Hin file when you find them. Thanks. C. T. Yim Dawson College Chem. Dept. Montreal, Canada e-mail: cyyi@musica.mcgill.ca From: "Sopek@Hyper.Com - using Network" To: Subject: Cyclodextrines Date: Wed, 27 May 1998 12:54:52 -0400 Hi there ! Thanks for everybody who expressed interest in Cyclodextrines. As soon as I find them I will post links (or files) to the list. Forgive me some delay, though, I just returned from US to Europe and I may need some time to dig in my CDs !!! Thanks ! Mirek ---- Dr Miroslaw Sopek President and CEO HyperCube Europe, Inc. http://www.hyper.mm.com.pl ---------------------------------------- sopek@hyper.com ------------- From: Sandy Yates To: hyperchem@hyper.com Subject: Cyclodextrin file Date: Thu, 28 May 1998 10:20:30 +0100 (BST) For the cyclodextrin pdb file have a look at: http://antas.agraria.uniss.it/electronic_papers/egc2/parathion/presentation/par$ This site relates to molecular modelling and has a few conformers of cyclodextrin. This can be imported into Hyperchem. If it appears to be disconnected atoms you may need to use Babel to convert it as HyperChem does not recognize the connectivity table very well. Also, try "cyclodextrin near pdb" as search term for Alta Vista. If found 33 entries for this. THE CYCLODEXTRIN HIN FILE IS ATTACHED TO THIS MESSAGE -------------------------------------------------------------------- Dr Sandy Yates / University of Edinburgh / Dept of Chemistry Joseph Black Building / West Mains Road / EH9 3JJ / UK Tlf: (+44) 131 650 4799 or 4734 / Fax: (+44) 131 650 4743 E.mail: S.Yates@ed.ac.uk (aliased from: prrls08@holyrood.ed.ac.uk) ; ---------------- ; Cyclodextrin.hin ;----------------- ;Taken from ;http://antas.agraria.uniss.it/electronic_papers/egc2/parathion/presentation/parathion.html forcefield mm+ sys 0 view 40 0.10953 62.5 22.5 0.9674103 0.04239436 0.2496399 -0.03651213 0.9989367 -0.0281488 -0.2505678 0.01811655 0.9679295 2.473 -5.4143 -63.283 seed 0 mol 1 res 1 UNK 1 - - atom 1 C C C4 - 0.92892 2.632625 4.264686 5.13875 4 2 s 46 s 50 s 78 s atom 2 C C C4 - 0.4481187 2.537461 2.794956 5.549127 4 1 s 3 s 43 s 79 s atom 3 C C C4 - 0.4567411 1.113562 2.259091 5.414503 4 2 s 4 s 44 s 80 s atom 4 C C C4 - 0.4651718 0.1530727 3.174186 6.182463 4 3 s 5 s 45 s 81 s atom 5 C C C4 - 0.4661732 0.342151 4.628771 5.715237 4 4 s 6 s 46 s 82 s atom 6 C C C4 - 0.4331429 -0.4837563 5.598263 6.572929 4 5 s 47 s 83 s 84 s atom 7 C C C4 - 0.9321356 3.713383 6.554508 0.4818614 4 8 s 51 s 55 s 85 s atom 8 C C C4 - 0.4460833 4.253457 5.142106 0.7029381 4 7 s 9 s 48 s 86 s atom 9 C C C4 - 0.4608982 3.361471 4.360598 1.665781 4 8 s 10 s 49 s 87 s atom 10 C C C4 - 0.4623115 3.2248 5.149548 2.974571 4 9 s 11 s 50 s 88 s atom 11 C C C4 - 0.4720321 2.697246 6.560947 2.653857 4 10 s 12 s 51 s 89 s atom 12 C C C4 - 0.4300847 2.681035 7.469749 3.889111 4 11 s 52 s 90 s 146 s atom 13 C C C4 - 0.9300787 0.3880343 8.088236 -3.34556 4 14 s 56 s 60 s 91 s atom 14 C C C4 - 0.4460654 1.151229 6.7835 -3.566151 4 13 s 15 s 53 s 92 s atom 15 C C C4 - 0.461056 1.510829 6.130075 -2.23523 4 14 s 16 s 54 s 93 s atom 16 C C C4 - 0.4639974 2.297981 7.128824 -1.378891 4 15 s 17 s 55 s 94 s atom 17 C C C4 - 0.4665105 1.505276 8.443876 -1.259752 4 16 s 18 s 56 s 95 s atom 18 C C C4 - 0.4343934 2.290653 9.557056 -0.5535738 4 17 s 57 s 96 s 97 s atom 19 C C C4 - 0.931062 -4.855756 8.478966 -2.871575 4 20 s 61 s 65 s 98 s atom 20 C C C4 - 0.4442503 -4.180064 8.02593 -4.164387 4 19 s 21 s 58 s 99 s atom 21 C C C4 - 0.4602926 -2.771616 7.496787 -3.897404 4 20 s 22 s 59 s 100 s atom 22 C C C4 - 0.4636221 -1.962956 8.528255 -3.102309 4 21 s 23 s 60 s 101 s atom 23 C C C4 - 0.4657936 -2.755307 9.0261 -1.878367 4 22 s 24 s 61 s 102 s atom 24 C C C4 - 0.4351838 -2.063418 10.24728 -1.253665 4 23 s 62 s 103 s 104 s atom 25 C C C4 - 0.9316595 -7.887339 5.605919 0.4128669 4 26 s 66 s 70 s 105 s atom 26 C C C4 - 0.4475751 -7.833117 5.230623 -1.068967 4 25 s 27 s 63 s 106 s atom 27 C C C4 - 0.4549613 -6.496159 5.616496 -1.697444 4 26 s 28 s 64 s 107 s atom 28 C C C4 - 0.4614434 -6.260637 7.114016 -1.463937 4 27 s 29 s 65 s 108 s atom 29 C C C4 - 0.4735248 -6.333184 7.392712 0.04831873 4 28 s 30 s 66 s 109 s atom 30 C C C4 - 0.4316592 -6.207181 8.88564 0.3803957 4 29 s 67 s 110 s 111 s atom 31 C C C4 - 0.9309959 -6.684278 2.715567 4.706397 4 32 s 71 s 75 s 112 s atom 32 C C C4 - 0.4501004 -7.274371 2.019829 3.480169 4 31 s 33 s 68 s 113 s atom 33 C C C4 - 0.4568183 -6.905509 2.762029 2.19787 4 32 s 34 s 69 s 114 s atom 34 C C C4 - 0.4590478 -7.390239 4.212146 2.317923 4 33 s 35 s 70 s 115 s atom 35 C C C4 - 0.4735653 -6.7914 4.835763 3.592884 4 34 s 36 s 71 s 116 s atom 36 C C C4 - 0.4313898 -7.331639 6.244385 3.874392 4 35 s 72 s 117 s 118 s atom 37 C C C4 - 0.9285262 -1.879777 2.103423 6.890937 4 38 s 45 s 76 s 119 s atom 38 C C C4 - 0.4506681 -2.608137 0.8687677 6.364631 4 37 s 39 s 73 s 120 s atom 39 C C C4 - 0.4575791 -3.587431 1.240031 5.255774 4 38 s 40 s 74 s 121 s atom 40 C C C4 - 0.4595106 -4.554125 2.312989 5.773051 4 39 s 41 s 75 s 122 s atom 41 C C C4 - 0.4714417 -3.76323 3.48843 6.377153 4 40 s 42 s 76 s 123 s atom 42 C C C4 - 0.431725 -4.663437 4.503794 7.094838 4 41 s 77 s 124 s 125 s atom 43 O O O2 - -0.9040823 3.405274 2.029135 4.754226 2 2 s 126 s atom 44 O O O2 - -0.901494 1.059901 0.965952 5.958631 2 3 s 127 s atom 45 O O O2 - -0.9088736 -1.168991 2.772514 5.871025 2 4 s 37 s atom 46 O O O2 - -0.9065003 1.690719 5.037081 5.844135 2 1 s 5 s atom 47 O O O2 - -0.8920999 -0.2856082 6.910965 6.117963 2 6 s 128 s atom 48 O O O2 - -0.8958158 4.316803 4.458106 -0.5209981 2 8 s 129 s atom 49 O O O2 - -0.8996472 3.960479 3.117903 1.930999 2 9 s 130 s atom 50 O O O2 - -0.9061813 2.294878 4.443566 3.778891 2 1 s 10 s atom 51 O O O2 - -0.9098763 3.523431 7.218021 1.709498 2 7 s 11 s atom 52 O O O2 - -0.8934307 2.188251 8.732935 3.525709 2 12 s 147 s atom 53 O O O2 - -0.8975859 0.3598208 5.897753 -4.314369 2 14 s 131 s atom 54 O O O2 - -0.9052968 2.313461 5.005895 -2.489614 2 15 s 132 s atom 55 O O O2 - -0.9088297 2.426467 6.541598 -0.09512719 2 7 s 16 s atom 56 O O O2 - -0.9106231 1.126086 8.96448 -2.523901 2 13 s 17 s atom 57 O O O2 - -0.8923478 3.458036 9.839028 -1.279607 2 18 s 133 s atom 58 O O O2 - -0.8959522 -4.971251 7.032344 -4.76272 2 20 s 134 s atom 59 O O O2 - -0.9002976 -2.141121 7.243571 -5.12751 2 21 s 135 s atom 60 O O O2 - -0.9094591 -0.7988732 7.888815 -2.611513 2 13 s 22 s atom 61 O O O2 - -0.9091315 -4.062976 9.443471 -2.221305 2 19 s 23 s atom 62 O O O2 - -0.894784 -2.796846 10.67801 -0.1378719 2 24 s 136 s atom 63 O O O2 - -0.8901672 -8.038206 3.849607 -1.209488 2 26 s 137 s atom 64 O O O2 - -0.904109 -6.548322 5.339422 -3.073845 2 27 s 138 s atom 65 O O O2 - -0.9065666 -4.962739 7.419934 -1.942451 2 19 s 28 s atom 66 O O O2 - -0.909133 -7.564915 6.964612 0.6018435 2 25 s 29 s atom 67 O O O2 - -0.8899322 -7.21259 9.600162 -0.2892658 2 30 s 139 s atom 68 O O O2 - -0.8894386 -6.797554 0.701984 3.412786 2 32 s 140 s atom 69 O O O2 - -0.9122519 -7.552964 2.136068 1.120402 2 33 s 141 s atom 70 O O O2 - -0.906918 -6.921652 4.907699 1.172991 2 25 s 34 s atom 71 O O O2 - -0.909821 -7.081068 4.066976 4.74825 2 31 s 35 s atom 72 O O O2 - -0.8898454 -8.730335 6.195056 3.980161 2 36 s 142 s atom 73 O O O2 - -0.9017539 -1.667829 -0.05673162 5.885441 2 38 s 143 s atom 74 O O O2 - -0.9134235 -4.315429 0.09475483 4.894819 2 39 s 144 s atom 75 O O O2 - -0.9070072 -5.275806 2.775271 4.643062 2 31 s 40 s atom 76 O O O2 - -0.9093099 -2.80258 3.07128 7.333563 2 37 s 41 s atom 77 O O O2 - -0.8898439 -5.350718 3.862347 8.137056 2 42 s 145 s atom 78 H H H - -0.01315832 3.632905 4.687454 5.388939 1 1 s atom 79 H H H - -0.004181147 2.891447 2.673265 6.600147 1 2 s atom 80 H H H - -0.007310987 0.8170205 2.175497 4.341928 1 3 s atom 81 H H H - 0.0004269481 0.3566653 3.132313 7.278732 1 4 s atom 82 H H H - -0.005814433 0.04171078 4.743255 4.64621 1 5 s atom 83 H H H - 0.0006456375 -1.576276 5.400846 6.50484 1 6 s atom 84 H H H - -0.0004312992 -0.1690851 5.575558 7.641554 1 6 s atom 85 H H H - -0.01458502 4.428227 7.188814 -0.09181631 1 7 s atom 86 H H H - -0.005856872 5.298892 5.191403 1.090075 1 8 s atom 87 H H H - -0.008050084 2.36313 4.151071 1.213337 1 9 s atom 88 H H H - 0.000462234 4.230974 5.204034 3.453291 1 10 s atom 89 H H H - -0.005330443 1.664569 6.504504 2.23348 1 11 s atom 90 H H H - 0.001379907 2.00126 7.092071 4.682281 1 12 s atom 91 H H H - -0.01309562 0.204758 8.609083 -4.314354 1 13 s atom 92 H H H - -0.005650043 2.070843 6.976766 -4.168889 1 14 s atom 93 H H H - -0.007319689 0.5990592 5.77099 -1.701319 1 15 s atom 94 H H H - 0.0009943247 3.287799 7.2982 -1.864585 1 16 s atom 95 H H H - -0.003650427 0.5741834 8.260496 -0.6727949 1 17 s atom 96 H H H - 0.001716673 2.607939 9.263137 0.4716184 1 18 s atom 97 H H H - -0.003365397 1.705757 10.50415 -0.4921181 1 18 s atom 98 H H H - -0.01280677 -5.832823 8.974163 -3.076461 1 19 s atom 99 H H H - -0.006381631 -4.142692 8.874659 -4.887985 1 20 s atom 100 H H H - -0.004543781 -2.814688 6.525112 -3.351301 1 21 s atom 101 H H H - -0.001260996 -1.712153 9.412194 -3.735961 1 22 s atom 102 H H H - -0.004879713 -2.840994 8.221789 -1.109019 1 23 s atom 103 H H H - 0.001803935 -1.040919 10.00695 -0.8861293 1 24 s atom 104 H H H - -0.00230062 -2.008934 11.10657 -1.961773 1 24 s atom 105 H H H - -0.01348209 -8.919558 5.475882 0.8116407 1 25 s atom 106 H H H - -0.007111192 -8.672213 5.727697 -1.612044 1 26 s atom 107 H H H - -0.006152868 -5.664795 5.001934 -1.278427 1 27 s atom 108 H H H - 0.001424432 -7.052724 7.684948 -2.002257 1 28 s atom 109 H H H - -0.006814241 -5.516308 6.849003 0.5808552 1 29 s atom 110 H H H - -0.003326535 -6.339816 9.076739 1.470541 1 30 s atom 111 H H H - 0.0001188517 -5.231082 9.308069 0.05353809 1 30 s atom 112 H H H - -0.01266563 -7.051964 2.246878 5.648133 1 31 s atom 113 H H H - -0.006820321 -8.383135 1.946221 3.586862 1 32 s atom 114 H H H - -0.007083893 -5.808895 2.708919 1.998302 1 33 s atom 115 H H H - 0.002262175 -8.503287 4.202456 2.379623 1 34 s atom 116 H H H - -0.006559253 -5.680642 4.902561 3.502352 1 35 s atom 117 H H H - -0.003619671 -6.945704 6.647566 4.839339 1 36 s atom 118 H H H - -4.243851e-005 -7.086881 6.960756 3.059029 1 36 s atom 119 H H H - -0.01224589 -1.233033 1.833956 7.758077 1 37 s atom 120 H H H - -0.004466772 -3.144674 0.3607288 7.201205 1 38 s atom 121 H H H - -0.007530928 -3.043497 1.584921 4.344634 1 39 s atom 122 H H H - 0.002480567 -5.215423 1.855963 6.545506 1 40 s atom 123 H H H - -0.005077124 -3.220726 4.023156 5.56172 1 41 s atom 124 H H H - -7.43866e-005 -5.428743 4.944224 6.417862 1 42 s atom 125 H H H - -0.00368917 -4.069021 5.326675 7.555454 1 42 s atom 126 H H HO - 0.4468553 3.282894 2.29343 3.859374 1 43 s atom 127 H H HO - 0.4471897 1.739175 0.4613202 5.544717 1 44 s atom 128 H H HO - 0.4467849 -0.6081376 6.955283 5.234164 1 47 s atom 129 H H HO - 0.4462764 4.758542 5.011411 -1.141111 1 48 s atom 130 H H HO - 0.448168 4.07549 2.695518 1.096785 1 49 s atom 131 H H HO - 0.4465548 0.1967824 6.294492 -5.152812 1 53 s atom 132 H H HO - 0.4481603 1.757012 4.36317 -2.895127 1 54 s atom 133 H H HO - 0.4469545 3.192687 10.26157 -2.078976 1 57 s atom 134 H H HO - 0.4476685 -4.40155 6.344172 -5.058573 1 58 s atom 135 H H HO - 0.4466777 -2.193592 8.031698 -5.6414 1 59 s atom 136 H H HO - 0.4472106 -3.604786 11.03952 -0.4615107 1 62 s atom 137 H H HO - 0.4468839 -8.053219 3.669525 -2.133919 1 63 s atom 138 H H HO - 0.4475583 -6.859955 6.109282 -3.517361 1 64 s atom 139 H H HO - 0.4465144 -7.162992 10.49681 -0.005808006 1 67 s atom 140 H H HO - 0.4472525 -7.262515 0.2848967 2.707722 1 68 s atom 141 H H HO - 0.4482946 -7.275297 2.580338 0.3392063 1 69 s atom 142 H H HO - 0.4464419 -9.034042 7.065572 4.171518 1 72 s atom 143 H H HO - 0.4475626 -1.098076 0.4000802 5.291173 1 73 s atom 144 H H HO - 0.4479229 -4.859877 0.3304218 4.165144 1 74 s atom 145 H H HO - 0.4464307 -5.865167 4.512299 8.583978 1 77 s atom 146 H H H - -0.002024174 3.703716 7.619414 4.306055 1 12 s atom 147 H H HO - 0.447203 2.222015 9.276745 4.294506 1 52 s endres 1 endmol 1 From: "Sopek@Hyper.Com - using Network" To: "Jesse Salb" Cc: Subject: Re: last problem Date: Wed, 27 May 1998 22:08:06 -0400 Jasse, There is no software that is completely free of bugs ! However, we have devoted a lot of hard work to make HyperData error-free and working smoothly. It now comes with with bigger database of 12000 molecules and most problems you faced in the first release now have gone ! Now, I'm not in position to comment about financial issues, let me only make a point that we do not charge high upgrade price or even regular upgrade policy does not apply here - more or less a bit it just covers shipping and handling. We do not upgrade HyperData using WEB - we always send physical CD to the customer. Regards Mirek ---- Dr Miroslaw Sopek President and CEO HyperCube Europe, Inc. http://www.hyper.mm.com.pl ---------------------------------------- sopek@hyper.com ------------- -----Original Message----- From: Jesse Salb To: Sopek, Mirek Date: Wednesday, May 27, 1998 7:38 PM Subject: Re: last problem >Mirek, > >The original version of HyperData was largely nonfunctional. Attempts >to export molecules from HyperChem to HyperData were unsuccessful, and >there were many other serious bugs. > >1. I think it's unfair to charge an upgrade fee for a program that >didn't work in the first place. > >2. Irrespective of the above, does the program work smoothly now, with >no bugs? > >Regards, >Jesse Salb > From: Sandy Yates To: hyperchem@hyper.com Subject: cyclodextrin Date: Thu, 28 May 1998 18:59:02 +0100 (BST) Hi everybody, I had a lot of enquiries about the cyclodextrin molecule. Apparently, some people had difficulty to get to the original web document. Here it is again (copied directly from the URL; be careful that the whole http is entered and not split by yourmail reader!) http://antas.agraria.uniss.it/electronic_papers/egc2/parathion/presentation/parathion.html I am only the messenger not the researcher. Questions should be addressed to bruno@antas.agraria.uniss.it Regards, Sandy -------------------------------------------------------------------- Dr Sandy Yates / University of Edinburgh / Dept of Chemistry Joseph Black Building / West Mains Road / EH9 3JJ / UK Tlf: (+44) 131 650 4799 or 4734 / Fax: (+44) 131 650 4743 E.mail: S.Yates@ed.ac.uk (aliased from: prrls08@holyrood.ed.ac.uk) From: "Walter Zielinski (314) 539-2174" To: "listadmin@hyper.com" Date: Thu, 28 May 1998 10:23:05 -0500 (CDT) Subject: Re: cyclodextrins I also have .hin files of cyclodextrin (alpha, beta, gamma), but don't know how to share them electronically unless I mail a diskette to you. Walt -------------------------------------- Walt Zielinski, Ph.D. Senior Research Chemist FDA Division of Drug Analysis St. Louis, MO E-mail: zielinskiw@ddastl.cder.fda.gov -------------------------------------- --------------------------------- >Dr. Sopek >I am also interested in cyclodextrins. Please send me a copy of the Hin >file when you find them. Thanks. >C. T. Yim >Dawson College >Chem. Dept. >Montreal, Canada >e-mail: cyyi@musica.mcgill.ca