| Energy
and Isomer Population (for Windows) by:
H. Hönig |
| This
program can be used for the calculation of isomer distributions (in
%) from relative energies (in kcal or kJ) and vice versa. It also calculates
the so-called population increment from many contributing conformers
for MM2 and similar calculations.
The program may
be freely given away but must not be sold. As this program is still under development, any suggestions and comments for improvements, corrections, desired additional features or hard- and software incompatibilities are highly welcome. Please use the contact adress given below. |
| The
program is written in VBasic 3.0 and runs with Windows 3.1 or higher.
The program is available as a self extracting file or as compressed
Zip file on our site.
Please transfer the program energy.exe by clicking on the name and then start the program in a local directory on your site. The program will create the respective files (WinZip needed). The energy.zip must be uncompressed with Winzip and includes the same files as the selfextracting file. |
| (!)
In case you encounter a problem or when you need the program on disc
or via email please contact the adress given below by phone, letter,
fax or e-mail.
Prof. Dr. Helmut
Hönig |
| last updated: Nov 21, 2006 |
| webmaster.orgc@tugraz.at |