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. 2023 Apr 13;19(14):4743–4756. doi: 10.1021/acs.jctc.3c00031

Table 1. Crystal Processing Filters.

filter condition
entry is empty not allowed
entry missing atoms not allowed
Z 1
wrong number of molecules/components in entry not allowed
structure is polymeric not allowed
entry is missing 3D structure not allowed
unit cell generation fails not allowed