Fit

From PyMOLWiki
Jump to: navigation, search

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 )

If atom identifiers (like segi, chain, ...) in mobile and target do not match, you need to alter them:

fetch 1a00, async=0
extract hbaA, chain A
extract hbaC, chain C
# hbaA and hbaC are the same protein, but have different chain identifiers
alter hbaC, chain='A'
# now both have identical atom identifiers
fit hbaC, hbaA

SEE ALSO

Rms, Rms_Cur, Intra_Fit, Intra_Rms, Intra_Rms_Cur