dkratzert / FinalCif

A CIF file finalizer for small molecule crystallography with as much automation as possible.

Home Page:https://dkratzert.de/finalcif.html

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Consider _geom_[]_publ_flag when generating the report.

dkratzert opened this issue · comments

The geom[]_publ_flag code signals whether the angle is referred to in a publication or should be placed in a table of significant angles.

  • Make an extra table of these bonds/angles in the report.

Example:
no do not include angle in special list
n abbreviation for "no"
yes do include angle in special list
y abbreviation for "yes"