Sasa

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Sasa

Computes the sasa specifically in the interface. If it is **higher** than threshold, it passes. However, it also has the option for an upper_threshold, where it fails if it is above the upper_threshold.

<Sasa name="(sasa_filter &string)" threshold="(800 &float)" upper_threshold="(1000000000000000 &float)" hydrophobic="(0&bool)" polar="(0&bool)" jump="(1 &integer)" sym_dof_names("" &string)/>

upper_threshold: maximum size allowed
hydrophobic: compute hydrophobic-only SASA?
polar: compute polar_only SASA?
jump: across which jump to compute total SASA?
sym_dof_names: Use sym_dof_names controlling the master jumps to determine across which jump(s) to compute total SASA. For use with multi-component symmetries.

hydrophobic/polar are computed by discriminating each atom into polar (acceptor/donor or polar hydrogen) or hydrophobic (all else) and summing the delta SASA over each category. Notice that at this point only total sasa can be computed across jumps other than 1. Trying to compute hydrophobic or polar sasa across any other jump will cause an exit during parsing.

Sasa

Sasa

See also