Problems calculating many conformers

Hi,





there are problems using the tool conformers calculation for molecules having many conformers.





But first a short question concerning MarvinSketch:





What is really done, when the "Conformer Options" parameter "Maximum number of conformers" is set to a large number, f.e. 10000 ?





Is there a change in the JAVA heap size for the actually running MarvinSketch program instance ?





Regards, Hans-Ulrich

Dear Hans-Ulrich,

Quote:

What is really done, when the "<span style="font-style: italic;">Conformer Options

" parameter "Maximum number of conformers" is set to a large number, f.e. 10000 ?








In this case Clean3D tries to generate the given conformer count. If it can not be achieved then less conformer will be returned.

Quote:

Is there a change in the JAVA heap size for the actually running MarvinSketch program instance ?

The maximum heap size will not be changed, however the allocated heap size may increase as the code uses more memory.





Regards,





Gabor

Dear Gabor,





thank you for your answer. Now I know how to continue my evaluation.





Regards, Hans-Ulrich