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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