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v1.0.0 – Full release

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@jmaglic jmaglic released this 14 Sep 16:34
v1.0.0
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MoloVol releases with added CIF file support and automatic cavity type determination.

This release marks the official full release. It introduces support for CIF input files along with support for symmetry group variants. Furthermore, cavity types are now automatically detected and can be either isolated, pockets, or tunnels. The default grid resolution has been changed from 0.1 Å to 0.2 Å. Other changes include the addition of molecular volume including isolated cavities to the report and hiding unnecessary columns in the output cavity list.

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