Difference between revisions of "Intra rms"
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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. | |
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===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 09:28, 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