MolShape

Since the new version of MolShape has been ported from a Perl script to a plain Windows application, the installation of a Perl interpreter and additional Perl modules is no longer required. MolShape is completely written in VB.NET code and thus needs only Microsoft's runtime libraries of the .NET Framework (version 2.0 or higher). Usually, these libraries are already installed on your Windows system. MolShape itself needs no installation at all and can be run directly from any folder

  1. Installing Microsoft's .NET Framework Runtime Libraries (if necessary)
  2. Starting MolShape
1. Installing Microsoft's .NET Framework Runtime Libraries (if necessary)

In case the .NET runtime libaries are not included in your system's configuration, please download the corresponding setup file from Microsoft's homepage and follow the instructions of the installation routine.

As an alternative, especially for non-windows operating systems like Linux or Mac OS, the cross-platform and open-source .NET development framework Mono can be used as well. The executability of MolShape with Mono 2.2 on Windows XP has been tested successfully.

2. Starting MolShape

The MolShape utility consists of a single EXE file that makes no changes to your system whatsoever except of cause for saving output files of executed calculations. It can be copied in any folder and is simply started by double clicking on MolShape.exe. Depending on your security settings, the following warning may be displayed an can be confirmed correspondingly.

MolShape

Please read the short manual for testing the installation and for information on how to use the program.