NetCharge

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Note: This page is about the NetCharge filter. For information about the netcharge score term, see this page.

This filter sums up all of the positively and negatively charged amino acids in your structure and reports a simplistic sequence-based net charge.

<NetCharge name="(&string)" min="(-100 &Integer)" max="(100 &Integer)" chain="(0 &Integer)" task_operations="('' &string)" />

min: minimum net charge desired (default: -100).
max: maximum net charge desired (default: 100).
chain: specify which chain you want to calculate the net charge (In the input PDB file, from top to bottom: 1 means first chain, 2 means the second chain, and so forth). Use the value 0 (default) if you want to consider all residues in the input PDB structure.
task_operations: all residues that are designable according to the task_operations will be selected for computing the net charge. Residues not set to be designable will not be counted.

This filter assigns basic residues LYS and ARG residues to +1, while acidic residues ASP and GLU are assigned to -1.

To design for a desired net charge rather than filtering after the fact, you can use the netcharge score term.

See also: