The Water Orientation VIDA Extension (version 1.1.3) now displays
the correct water orientations for results from szmap
version 1.2.0. Previous versions of the extension
will show random orientations for waters from these results.
The Water Orientation VIDA Extension now saves
orientation probability data and ensemble energy, vdw
and order data on probe molecules as SDData. When
probes generated by this extension are written to an
.sdf file, these values will be written as well.
gameplan no longer crashes when all
stabilization test sites clash.
pch no longer treats CYS residues
bonded through the sidechain to a non-CYS as
anionic and no longer duplicates non-standard
groups containing a metal (such as cofactors)
and groups they are bonded to. The option
-nonsymmetrized_charges now works correctly
to control AM1BCC partial charges but now defaults to true
so as to not alter the default behavior.
For the complete list of features and bug fixes, please refer to
the Release Notes chapter.
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