|
Resolution: standard / high Figure 9.
Reaction enumeration (Scenario 5) loading a generic reaction from a MDL RXNfile and
two reactant lists from MDL SDfiles. The products from the enumeration are stored as MDL Molfiles. Besides these files
a PDF document showing the 2D structure of the products is created. At the end Bioclipse
will start up to allow visualization and analysis of the results [39].
Kuhn et al. BMC Bioinformatics 2010 11:159 doi:10.1186/1471-2105-11-159 |