1. Change to HyperChem 7

• A large set of tutorials has been added to the product. These tutorials use
  videos to explain various operation in HyperChem. The videos (AVI files)
  are invoked by clicking on an HTML link in a new HTML Help engine and tutorial
  interface. The tutorials can be invoked directly from HyperChem and installed
  with HyperChem or they may be left on the installation CD-ROM (they occupy more
  than 200 megabytes) and played off the CD-ROM from HyperChem or played completely
  independently of HyperChem.

• The Select... Dialog was fixed to allow the selection of single character 
  atom types.

• A previously undocumented script command, re-bond-system, had a bug that 
  caused the hin file to be incorrectly written when the file is saved. This 
  bug had been fixed. This new script command will completely remove all the 
  bonding information of a molecular system, and add bonds where appropriate 
  based on a simple set of rules of atom distances. Because there is not a 
  rigorous procedure for determining bonding rules, this tool is not designed 
  to be applicable to all systems and all bonding conditions. The best use 
  of the re-bond-system script command may be when replaying dynamics 
  simulations. Setting the re-bond-system command to execute at every 
  timestep (using the chem_dynamics.scr file) will allow you to visualize 
  chemical bonding changes during dynamics playback. The script file 
  chem_dynamics.scr is executed at every step during dynamics simulations 
  playback.

• The atom-labels script command gave the wrong labels for mass, basis set 
  and chirality. These have been fixed and new labels have been added. The 
  available options for the atom-labels script command are: 
  
  None, Symbol, Name, Number, Type, Charge, Spin, Mass, BasisSet, 
  Chirality, RMSGradient and Custom

• A erroneous warning produced by the factory-settings script command has 
  been eliminated.

• The NewUser.exe utility has been updated. Now the HyperChem 7 installation 
  saves default registry settings in the HKEY_LOCAL_MACHINE portion of the 
  Windows Registry. When HyperChem is installed on a multi-user system, the 
  NewUser.exe utility should be executed for each user, so that the users 
  registry values may be initialized. The NewUser.exe utility copies the 
  settings from HKEY_LOCAL_MACHINE to HKEY_CURRENT_USER.

• The Quench Rotation about Center of Mass operation in the Set Velocity dialog
  box and the associated reporting of rotational velocity and energy was not 
  working properly and has been fixed. 

• Newton.exe previously required the use of the root folder on the C Drive. 
  This caused users without Administrator privileges on Windows XP systems to
  by unable to use Newton.exe. This oversight has been fixed.

1. Change to HyperChem 7

• A Charmm improper torsions bug that routinely caused Charmm22 force field 
  calculations to crash has been fixed

2. Updates to HyperChem 7

• HyperChem can now run with in an environment where the \Hyper7 folder is 
  set as read-only. 
• Raytrace and the Crystal Builder use the ChemTempPath setting for 
  temporary files
• NMR uses the NMRTempPath setting in the win.ini file for temporary files

3. Addition to HyperChem 7

• Sample HyperChem scripts and Excel macros have been placed in the 
  \Samples\Scripts folder

HyperChem 7.02 Professional Update

1. Corrections to HyperChem 7

• Improper Torsions
  
  With Release 6, a small error related to improper torsions (keeping carbonyl groups planar, for example) crept into HyperChem. This error has kept a number of optimizations of proteins (or nucleic acids) from sometimes converging as tightly, ie. beyond ~0.01, as one might have liked. This error only affected HyperNewton not HyperMM+. This small error was never noticed until now but has been corrected in Release 7.02. 
  
• ZINDO/s Chlorine parameters
  
• New improper torsions for Amber 94 and Charmm22 force fields
  
• Amber94/96 *.par file update
  
• NMRParmPath correctly set by install
  
• Eliminate total number of atoms ceiling
  
• Eliminate PocketPC HIN file 4K maximum
  

1. Addition to HyperChem 7

• Pocket HyperChem Server
  
  This Release of HyperChem now allows HyperChem to act as a server for Pocket PC's running Pocket HyperChem. To Place HyperChem in "Server Mode", check the appropriate box in the Network Options dialog box accessed through the Setup\Network menu item. To return to "Interactive Mode" just click on the Cancel menu.
  
  To use HyperChem as a server for calculations from a Pocket PC or other handheld device you need to have purchased the appropriate version of Pocket HyperChem (1.1 or greater). 
  
• Amber 99 Parameters
  
  This Release includes new Amber parameters labeled as Amber99. They are for use with the same Cornell et. al. force field (JACS, 117, 5159, 1995) as per Amber94 and Amber96 but with a newer set of parameters applicable to a broader range of molecules.
  
• New Semi-Empirical Parameters
  
  PM3 parameters added for Li, B, Ca, Ru and Gd
  AM1 parameters added for Na, K and Sn
  MNDO and MNDO/d parameters added for Na and K

2. Corrections to HyperChem 7

• Save As HTML... 
  
  The technology introduced in HyperChem Release 6 and continued in Release 7.0 for producing HTML files, using "Chemical Objects for the Web" (COW) files, enabling dynamic web display of molecules, orbitals, spectra, etc. was developed using Netscape plug-in technology so that web pages could be viewed with Netscape browsers as well as Microsoft browsers. Unfortunately, Microsoft decided with Service Pack 2 of Internet Explorer 5.5 and beyond to stop supporting Netscape Plug-ins. Thus, with Release 7.0 of HyperChem this functionality was specifically broken for Internet Explorer 6.0, the current version of the Microsoft browser.
  
  Hypercube, Inc. is making an effort to recover this technology by using ActiveX controls rather than Netscape plug-ins. This release of HyperChem contains a new ActiveX control, IEHin32Control.dll, that replaces much of the previous functionality for Internet Explorer 6.0, i.e. NPHin32.dll. The Save As HTML dialog box now allows you to create HTML pages for the new control as well as the older plug-in. Unfortunately, the new ActiveX control does not yet allow display of Spectra but only of molecules, orbitals, and normal modes.
  
  Both the Newer, ActiveX Version and the Older, Plug-in version are available in HyperChem 7.01. The newer ActiveX control works with any version of Internet Explorer, including Internet Explorer 6.0 and later. The older plug-in version works with Netscape 4 and Netscape 6 (Mozilla) and Internet Explorer 5.0, and 5.5, but does not work with Internet Explorer 5.5 SP2 or later. 
  
  The Save As HTML feature of HyperChem can only create pages compatible with one version or the other. HTML pages that work in the plug-in version will not work in the ActiveX version or vice versa, even though the COW files are identical. 
  
• The default bond order for Amber and Charmm has been corrected. The default bond order (for default parameters) was always a single bond. 
  
• Potential energy plotting should now work as advertised. The graph32.ocx file was not properly registered on installation.
  
• HyperChem sometimes gave an error when reading older *.hin files created with the HyperChem modules. HyperChem has been set to disregard final zero in "mol 1 0" entries in hin files.
  
• Molecular mechanics calculations did not work correctly if the last quantum mechanical optimization method was conjugate directions. The optimization method is now reset.
  
• Molecular mechanics calculations failed when HyperChem was configured with the default registry values. The MechanicsComponentFlags value is now properly set on exiting HyperChem.
  
• In certain rare circumstances, the reported energy was corrupted but was immediately obvious as an invalid value. This associated bug has been fixed.
  
• HyperChem Data 'Get Record from HyperChem' function gave an error when no database is open. The function is no longer available without an open database. 
  

3. Updates to HyperChem 7

• Amino acid template entries have been corrected for Amber 94 and 96 zwitterions.  Previously, the template charges were zero.
  
• HyperChem on-line help has been updated to include images of dialog boxes.
  

4. Known bugs in HyperChem 7