Intra rms: Difference between revisions

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===DESCRIPTION===
'''intra_rms''' calculates rms fit values for all states of an object over an atom selection relative to the indicated state.  Coordinates are left unchanged.  The rms values are returned as a python array.
"intra_rms" calculates rms fit values for all states of an object over an atom selection relative to the indicated state.  Coordinates are left unchanged.  The rms values are returned as a python array.
 
===PYMOL API===
===PYMOL API===
<source lang="python">
<source lang="python">
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===PYTHON EXAMPLE===
===PYTHON EXAMPLE===
<source lang="python">
<source lang="python">
from pymol import cmd
from pymol import cmd
rms = cmd.intra_rms("(name ca)",1)
rms = cmd.intra_rms("(name ca)",1)
</source>
</source>


===USER EXAMPLES/COMMENTS===
===USER COMMENTS===
[[Fit]], [[Rms]], [[Rms_Cur]] are finicky and only work when all atom identifiers match: segi, chain, resn, name, alt.  If they don't then you'll need to use the alter command to change the identifiers to that they do -- typically that means clearing out the SEGI field, renaming chains, and sometimes renumbering.
See [[Rms]] for selection caveats for this group of commands.


===SEE ALSO===
===SEE ALSO===
  [[Fit]], [[Rms]], [[Rms_Cur]], [[Intra_Fit]], [[Intra_Rms_Cur]], [[Pair_Fit]]
[[Fit]], [[Rms]], [[Rms_Cur]], [[Intra_Fit]], [[Intra_Rms_Cur]], [[Pair_Fit]]


[[Category:Commands|intra_rms]]
[[Category:Commands|Intra Rms]]
[[Category:States|Intra Rms]]
[[Category:Structure_Alignment|Intra Rms]]

Latest revision as of 04:52, 20 November 2013

intra_rms calculates rms fit values for all states of an object over an atom selection relative to the indicated state. Coordinates are left unchanged. The rms values are returned as a python array.

PYMOL API

cmd.intra_rms( string selection, int state)

PYTHON EXAMPLE

from pymol import cmd
rms = cmd.intra_rms("(name ca)",1)

USER COMMENTS

See Rms for selection caveats for this group of commands.

SEE ALSO

Fit, Rms, Rms_Cur, Intra_Fit, Intra_Rms_Cur, Pair_Fit