Required Parameters

-in <filename>

File containing a biounit OEDesignUnit that whose active site will be enumerated based on the input reference or site residues input.

File format for -in can be one of:

File type Extension
OEDesignUnit .oedu

[keyless parameter 1]

-ref <filename>

File containing an OEDesignUnit with a site defined that can be used as a reference structure.

File format for -ref can be one of:

File type Extension
OEDesignUnit .oedu

NOTE: Either -ref or -site_residue must be set, but not both.

-site_residue <filename>

String containing one or more comma-separated residue strings that have the following format:

“RESIDUE_NAME:RESIDUE_NUMBER:INSERTION_CODE:CHAIN_ID”

As an example, this is what the string would look like for an asparagine residue, at position 25, with a blank insertion code, on chain A. “ASP:25: :A”

NOTE: Either -site_residue or -ref must be set, but not both.