Distance: Difference between revisions
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=== | ===EXAMPLES=== | ||
This neat example shows how to create distance measurements from an atom in a molecule to all other atoms in the molecule (since PyMol supports wildcards). | *This neat example shows how to create distance measurements from an atom in a molecule to all other atoms in the molecule (since PyMol supports wildcards). | ||
<source lang="python"> | <source lang="python"> | ||
cmd.dist("(/mol1///1/C)","(/mol1///2/C*)") | cmd.dist("(/mol1///1/C)","(/mol1///2/C*)") | ||
| Line 33: | Line 33: | ||
or written without the PyMolScript code, | or written without the PyMolScript code, | ||
dist /mol1///1/C, /mol1///2/C* | dist /mol1///1/C, /mol1///2/C* | ||
*Create multiple distance objects | |||
<source lang="python"> | |||
for at1 in cmd.index("resi 10"): \ | |||
for at2 in cmd.index("resi 11"): \ | |||
cmd.dist(None, "%s`%d"%at1, "%s`%d"%at2) | |||
</source> | |||
===SEE ALSO=== | ===SEE ALSO=== | ||
Revision as of 19:42, 11 August 2005
DESCRIPTION
"distance" creates a new distance object between two selections. It will display all distances within the cutoff.
USAGE
distance distance (selection1), (selection2) distance name = (selection1), (selection2) [,cutoff [,mode] ] name = name of distance object selection1, selection2 = atom selections cutoff = maximum distance to display mode = 0 (default)
PYMOL API
cmd.distance( string name, string selection1, string selection2,
string cutoff, string mode )
# returns the average distance between all atoms/frames
NOTES
The distance wizard makes measuring distances easier than using the "dist" command for real-time operations.
"dist" alone will show distances between selections (pk1) and (pk1), which can be set using the PkAt mouse action (usually CTRL-middle-click).
EXAMPLES
- This neat example shows how to create distance measurements from an atom in a molecule to all other atoms in the molecule (since PyMol supports wildcards).
cmd.dist("(/mol1///1/C)","(/mol1///2/C*)")
or written without the PyMolScript code,
dist /mol1///1/C, /mol1///2/C*
- Create multiple distance objects
for at1 in cmd.index("resi 10"): \
for at2 in cmd.index("resi 11"): \
cmd.dist(None, "%s`%d"%at1, "%s`%d"%at2)