Back to Mover page.


Build a structure in centroid from a blueprint given an input pdb.

<BluePrintBDR name="bdr" blueprint="input.blueprint" use_abego_bias="0" use_sequence_bias="0" scorefxn="scorefxn1"/>

Options (default):

 num_fragpick ( 200 ), 
 use_sequence_bias ( false ), use sequence bias in fragment picking
 use_abego_bias ( false ), use abego bias in fragment picking
 max_linear_chainbreak ( 0.07 ),
 ss_from_blueprint ( true ),
 constraints_NtoC ( -1.0 ),
 constraints_sheet ( -1.0 ),
 constraint_file ( "" ),
 dump_pdb_when_fail ( "" ),
 rmdl_attempts ( 1 ),
 use_poly_val ( true ),
 tell_vlb_to_not_touch_fold_tree (false),

Blueprint format:

 resnum  residue  (ss_struct)(abego) rebuild
 resnum = consecutive (starting from 1) or 0 (to indicate a new residue not in the input.pdb)
 residue = one letter code amino acid (e.g. V for Valine)
 ss_struct = secondary structure, E,L or H. ss_struct and abego are single-letter and have no space between them.
 abego = abego type (ABEGO), use X if any is allowed
 rebuild = R (rebuild this position) or "." (leave as is)


 1   V  LE  R   (position 1, Val, loop, abego type E, rebuild)
 0   V  EX  R   (insert a residue, Val, sheet, any abego, rebuild)
 2   V  EB  .   (position 2, Val, sheet, abego type B, do not rebuild)

Note that this is often used with a SetSecStructEnergies mover, which would be applied first, both calling the same blueprint file with a header indicating the desired pairing. See SetSecStructEnergiesMover for more.

See Also