Back to Filters page.
Calculate the number of buried unsatisfied H-bonds across a given interface. (Specifically, the difference in the number of buried unsatisfied hydrogen bonds in the bound state versus the bound state. This uses a different algorithm than the BuriedUnsatHbonds filter. What the differences were not properly documented, unfortunately.)
Autogenerated Tag Syntax Documentation:
A filter for computing the number of buried unsatisfied hydrogen bond donors and/or acceptors, and discarding poses with too many. This is the same thing that the BuriedUnsatHbonds filter does, but this filter does it a somewhat different way. What the difference is has been lost to the mists of time.
<BuriedUnsatHbonds2 name="(&string;)" jump_number="(1 &non_negative_integer;)"
cutoff="(20 &non_negative_integer;)" generous_hbonds="(true &bool;)"
sasa_burial_cutoff="(0.01 ℜ)" AHD_cutoff="(120 ℜ)"
dist_cutoff="(3.0 ℜ)" hxl_dist_cutoff="(3.5 ℜ)"
sulph_dist_cutoff="(3.3 ℜ)" metal_dist_cutoff="(2.7 ℜ)"
scorefxn="(&string;)"
task_operations="(&task_operation_comma_separated_list;)"
packer_palette="(&named_packer_palette;)" confidence="(1.0 ℜ)" />