haddock.clis.restraints.active_passive_to_ambig module
haddock3-restraints active_passive_to_ambig subcommand.
- Given two files containing active (in the first line) and passive (second line)
residues to be used by HADDOCK, this command gives in output the corresponding ambig.tbl file.
- Usage:
haddock3-restraints active_passive_to_ambig file_actpass_one file_actpass_two [–segid-one] [–segid-two]
- An example content for file_actpass_one is
72 73 74 75 81 83 84 89 90 92 94 96 97 98 115 116 117 3 24 46 47 48 50 66 76 77 79 80 82 86 87 88 91 93 95 118 119 120
- haddock.clis.restraints.active_passive_to_ambig.actpass_to_ambig(actpass_one, actpass_two, segid_one, segid_two)[source]
Generate ambig from two actpass files.
- Parameters:
actpass_one (str) – path to first actpass file
actpass_two (str) – path to second actpass file
segid_one (str) – segid to use for the first model
segid_two (str) – segid to use for the second model