14 Programming Your Own Input Filter

VIEWMOL can be easily adapted to read outputs of other programs or other file formats. All you have to do is to write a new input filter which extracts the data from the corresponding file. These input filters are stand-alone programs and can be written in every programming language you want. Examples in C and awk are included.

The input filter has to read the following data from the output file and write them to its standard output in the format described below. This format follows the file format of TURBOMOLE very closely. A few sections had to be extended to allow data which is currently not supported by TURBOMOLE (e. g. unit cells).

The last line of the data written to standard output by the input filter must be $end.

Figure 17: The error dialog produced by the sample error message

The input filter can be installed by adding a line to the viewmolrc file.

Jörg-Rüdiger Hill Fri Oct 31 14:19:21 CET 2003