Intra rms: Difference between revisions
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===DESCRIPTION=== | ===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. | |||
===PYMOL API=== | ===PYMOL API=== | ||
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===PYTHON EXAMPLE=== | ===PYTHON EXAMPLE=== | ||
<source lang="python"> | |||
from pymol import cmd | |||
rms = cmd.intra_rms("(name ca)",1) | |||
</source> | |||
===USER EXAMPLES/COMMENTS=== | ===USER EXAMPLES/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 ALSO=== | ===SEE ALSO=== | ||
[[ | [[Fit]], [[Rms]], [[Rms_Cur]], [[Intra_Fit]], [[Intra_Rms_Cur]], [[Pair_Fit]] | ||
[[Category:Commands|intra_rms]] | [[Category:Commands|intra_rms]] | ||
Revision as of 08:28, 16 May 2005
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.
PYMOL API
cmd.intra_rms( string selection, int state)
PYTHON EXAMPLE
from pymol import cmd
rms = cmd.intra_rms("(name ca)",1)
USER EXAMPLES/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 ALSO
Fit, Rms, Rms_Cur, Intra_Fit, Intra_Rms_Cur, Pair_Fit