plugin.setTimelimit() for Geometry plugin?

Hello,


is there a plugin.setTimelimit(900); for the Class CalculatorPlugin.


Or how can I make sure that the whole calculation runs for a set timelimit?


Or should I use the conformer plugin?


Thank you


Tobias

Hi,





There is no setTimelimit(int) method in GeometryPlugin. Please use ConformerPlugin to generate conformers with specified time limit, and then use GeometryPlugin for calculating geometrical properties. If the input molecule has 3D coordinates, then - by default - GeometryPlugin will use those coordinates and will not clean the molecule in 3D again.





Zsolt

Hello Zsolt,


thanks!





That is actually nice, as I understand the 3D Geometry plugin is just used for the energy values but as courtesy also


calculates 3D coordinates.





Tobias

Hi,





Yes, this is how it works.





Zsolt