Hi Filippo,
try reducing the number of min_build_datasets:
pandda.analyse min_build_datasets=20 ...
The default value is 30 (you can see this by running pandda.analyse
--show-defaults).
HTH,
Christian
Am 12.04.24 um 10:00 schrieb Filippo Vascon:
> Hi,
>
> I am experiencing the same issue running pandda with 30 ground-state datasets and 26 datasets obtained in the presence of different ligands.
> As already reported by Christian, the pandda run exits with "No shell partitions generated" error.
>
> Does anybody know how to overcome this problem?
>
> Thank you and best regards.
>
> Filippo Vascon
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