Fit

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Revision as of 18:35, 5 January 2012 by Speleo3 (talk | contribs) (matchmaker argument)
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Fit superimposes the model in the first selection on to the model in the second selection. Only matching atoms in both selections will be used for the fit.

USAGE

fit mobile, target [, mobile_state [, target_state [, quiet [, matchmaker [, cutoff [, cycles [, object ]]]]]]]

ARGUMENTS

  • mobile = string: atom selection
  • target = string: atom selection
  • mobile_state = integer: object state {default=0, all states)
  • target_state = integer: object state {default=0, all states)
  • matchmaker = integer: how to match atom pairs {default: 0}
    • -1: assume that atoms are stored in the identical order
    • 0/1: match based on all atom identifiers (segi,chain,resn,resi,name,alt)
    • 2: match based on ID
    • 3: match based on rank
    • 4: match based on index (same as -1 ?)
  • cutoff = float: outlier rejection cutoff (only if cycles>0) {default: 2.0}
  • cycles = integer: number of cycles in outlier rejection refinement {default: 0}
  • object = string: name of alignment object to create {default: None}

EXAMPLES

fit ( mutant and name ca ), ( wildtype and name ca )

USER COMMENTS

See Intra_Rms for selection caveats for this group of commands.

SEE ALSO

Rms, Rms_Cur, Intra_Fit, Intra_Rms, Intra_Rms_Cur