User 25d107bd42
07-05-2008 20:24:29
Hi,
when I open a xyz-file coming from other calculation programs it is not possible to use the implemented tools. I get always "answers" of the program MarvinSketch like:
Cannot run plugin: Geometry
Calculation result is not defined for query molecules
Cannot run plugin: Huckel Analysis
Calculation result is not defined for query molecules
Cannot ... and so on
Why is f.e. the Dreiding Energy for a given structure not defined ?
Only "Clean 3D does work",
but the molecule is still not fully editable and the tools don't work.
I can add double bonds to the structure by double click with the single bond tool. OK.
But when I add a new bond, such as the amino group in the middle of the example in the screenshot534, the single bonds of the molecule get dotted. What does that mean ?
Regards, Hans-Ulrich
when I open a xyz-file coming from other calculation programs it is not possible to use the implemented tools. I get always "answers" of the program MarvinSketch like:
Cannot run plugin: Geometry
Calculation result is not defined for query molecules
Cannot run plugin: Huckel Analysis
Calculation result is not defined for query molecules
Cannot ... and so on
Why is f.e. the Dreiding Energy for a given structure not defined ?
Only "Clean 3D does work",
but the molecule is still not fully editable and the tools don't work.
I can add double bonds to the structure by double click with the single bond tool. OK.
But when I add a new bond, such as the amino group in the middle of the example in the screenshot534, the single bonds of the molecule get dotted. What does that mean ?
Regards, Hans-Ulrich