HyperChem Release 6

Frequently Asked Questions

The HyperChem 5 FAQ is still available.

1. What are the changes in HyperChem 6.03?

2. What are the changes in HyperChem 6.02?

3. What are the changes in HyperChem 6.01?

4. I can't run the HyperChem Evaluation.

5. There's no 'Try' button while running the HyperChem Evaluation.

6. The WebViewer does not appear to work under Windows 2000 or ME.

7. The error message 'Backend termination caused by WINSOCK.DLL (connection reset by peer)' appears and my calculation stops.

8. I have purchased HyperChem and I need to get a license key.

9. I get 'Client Activator, Error code: 10203; An unknow error 30004 occurred; Please contact technical support' while installing HyperChem.

10. HyperChem 6.03 calculations run slower/faster than HyperChem 6.02 calculations. Why?

11. What file formats does HyperChem support?

1. What are the changes in HyperChem 6.03?

Corrections and Additions to HyperChem 6:

    An error that caused Molecular Dynamics playback to read snapshot files incorrectly for time steps other than one frame per data point or with a start time other than zero has been corrected.
    An error in the socket communication that caused the connection with the backends to fail under certain conditions has been corrected.
    An error that caused the backend modules to remain in memory when calculations were canceled under socket communication has been fixed.
    An error that caused Monte Carlo simulations to fail with a portion of the system selected has been fixed.
    Corrected an error which caused the electric field to line up along the wrong axis.

2. What are the changes in HyperChem 6.02?

    Default paths for scripts and log files are now set correctly based on the "File/Preferences/Path" settings.
   Saving files in Tripos ML2 format correctly records partial charges.
    The HSV "mode-symmetry" was removed.
    The HSV "field-direction" now works correctly.
    Corrected rare Gourard shading problem for certain molecules.
    Transition state searching with eigenvector following works again.
    AMBER94 parameter file has been corrected for non-bonded interactions.
    The "factory-settings" HSV has been fixed.
    Memory leaks in the NDO and HyperGauss modules have been corrected.
    Socket communications added to HyperChem for front end - back end communications. This is transparent to the user and can be set to use the older DDE communications format through registry settings.

3. What are the changes in HyperChem 6.01?

Corrected evaluation licensing problem on CD-ROM.
Replaced Rainbow Technologies protection scheme DLL's.

4. I can't run the HyperChem Evaluation.

After installing the HyperChem 6 Professional Evaluation you will be able to run HyperChem for 21 days. To run HyperChem, select HyperChem Pro 6 from the Start Menu. You will be prompted with a Client Activator screen which will allow you to activate HyperChem, or to try HyperChem. Please select the 'Try' button to run and evaluate HyperChem during the Evaluation period. After that time, the 'Try' button will no longer appear and the HyperChem Evaluation will no longer function.

If you have purchased and installed HyperChem, then please contact license@hyper.com with your serial number and locking code.

5. There's no 'Try' Button while running the HyperChem Evaluation.

The HyperChem Evaluation is started when you select the 'Try' button at the Client Activator prompt. If this button is not available, there are two possibilities.

The first is that the Evaluation period has expired. Once this has happened, you will no longer be able to run HyperChem on that computer. You may install the HyperChem Evaluation on another computer however. In certain cases, such as if the date of your computer is changed, or if there is a conflict between HyperChem Evaluation and another program, the Evaluation period may expire prematurely. There is no workaround for this issue.

The second possibility, is that you have an older copy of our HyperChem Evaluation. The Licensing mechanisms for older versions of the Evaluation will no longer work. If you are given an option to register on the internet then you have an older copy of the HyperChem Evaluation. You will need to download the current Evaluation, or contact your HyperChem reseller for a current CD.

6. WebViewer does not appear to work under Windows 2000 or ME.

The WebViewer does work under Windows 2000 and ME, but is not installed properly during the HyperChem install. To resolve this issue you may manually copy files from the HyperChem disc.

Copy the necessary files from the HyperChem disc to your computer according to the following table.

File from CD	Copy to	Typical location
M:\Install\Hyper6\WAT\NPHIN32.DLL	Internet Explorer plug-ins or Netscape Navigator plug-ins folder	C:\Program Files\Internet Explorer\Plugins
M:\Install\Hyper6\WAT\ATL.DLL	Windows system folder	C:\Windows\System
M:\Install\Hyper6\WAT\WATATL.DLL	HyperChem WAT folder	C:\Hyper6\WAT

Alternatively, you may install the WebViewer separately by executing 'M:\Install\Hyper6\WAT\Setup.exe' from the HyperChem CD. This setup is intended for users who do not have HyperChem installed.

7. The error message 'Backend termination caused by WINSOCK.DLL (Connection reset by peer.)' appears and my calculation stops.

The backends in HyperChem 6.02 have a bug which will cause this error under certain conditions. There is a solution which will work until this issue is fixed. The new update release, HyperChem 6.03, fixes this problem. Please download the free upgrade.

8. I have purchased HyperChem and I need to get a license key.

We'll need your HyperChem version and serial number in order to generate a license for you. Also, please indicate whether this is a new purchase or if you wish to move HyperChem from one computer to another. Please email this information to license@hyper.com. If you do need to transfer the license, you'll need to fill out a License Transfer Form and mail or fax it to Hypercube, Inc. We will gladly email you a License Transfer form as a Adobe PDF file attachment, or fax it to your fax number, at your request.

9. I get 'Client Activator, Error code: 10203; An unknown error 30004 occurred; Please contact technical support' while installing HyperChem.

These two error codes appear when the licensing mechanism becomes corrupt during the installation of the license key. Please follow the procedure below:

1. Delete LSERVRC from the HyperChem program folder. Once installed the license is stored in a file named LSERVRC in the HyperChem program folder, usually C:\Hyper6\program.

2. Check the locking code. After this file is deleted, the next time you execute HyperChem, the Client Activator will come up and allow you to license another license. Make note of the locking code generated by the Client Activator. If this code has changed from the last time you installed HyperChem, you will have to relicense the software.

3. Reinstall the license. Choose to browse for the license file send from Hypercube. It will have a *.lic extension. Then select Finish and HyperChem will start.

4. If this does not solve the problem, contact license@hyper.com with your locking code.

10. HyperChem 6.03 calculations run slower/faster than HyperChem 6.02 calculations. Why?

There are two ways that HyperChem can communicate with the backends like NDO and MMPLUS. These are DDE which was used in HyperChem 5 and HyperChem 6.0 and 6.01. The method in HyperChem 6.02 was Socket communication. This change does cause a calculation speed change; however in some cases the calculations are faster and in others it is slower. The default method in HyperChem 6.03 is DDE.

Since sockets communication is faster for you, then you can direct HyperChem to use that instead of DDE. You may do this my editing the Windows Registry. Please run the Registry Editor by typing 'regedit' at the run dialog from the start menu. Then find the HyperChem preferences by browsing to the following key:

[HKEY_CURRENT_USER\Software\Hypercube\HyperChem Pro\6.0\Preferences]

You should find "UseSockets"=00000000 near the bottom. You may select the method that HyperChem will use for its internal communication by setting this value. Click on this setting to change its value to one of the following:

Communication Type UseSockets setting

DDE (HyperChem 6.03 Default) Zero (0)

Socket communication (HyperChem 6.02 Default) One (1)

After changing the setting, restart HyperChem and retry your calculation. This will cause the software to use the new method.

11. What file formats does HyperChem support?

HyperChem Professional Release 6 supported file types:

*.hin
HyperChem files

*.ent Brookhaven PDB files

*.skc ISIS Sketch files

*.mol MDL MOL files

*.zmt MOPAC Z-Matrix files

*.ml2 Tripos MOL2 files

*.chm ChemDraw CHM files

If you have questions that are not covered here, or need more information please contact us.

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Communication Type	UseSockets setting
DDE (HyperChem 6.03 Default)	Zero (0)
Socket communication (HyperChem 6.02 Default)	One (1)

	*.hin	HyperChem files
	*.ent	Brookhaven PDB files
	*.skc	ISIS Sketch files
	*.mol	MDL MOL files
	*.zmt	MOPAC Z-Matrix files
	*.ml2	Tripos MOL2 files
	*.chm	ChemDraw CHM files