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Computational Crystallography Toolbox
https://cci.lbl.gov/docs/cctbx
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Molprobity2 debug8 #905

Closed russell-taylor closed 1 year ago

russell-taylor commented 1 year ago

Version 1.0.0 of the reduce2 program passes all of its unit and regression tests.

There are still some unresolved issues relating to hydrogen placement and handling missing ligands, and some issues related to speed, but the Reduce functionality seems to be complete and working.