Distance
From PyMOLWiki
distance creates a new distance object between two selections. It will display all distances within the cutoff. Distance is also used to make hydrogen bonds.
Contents |
Details
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).
Usage
distance name = (selection1), (selection2) [,cutoff [,mode] ]
name
- string: name of the distance object to create
selection1
- string: first atom selection
selection2
- string: second atom selection
cutoff
- float: longest distance to show
mode
- 0: all interatomic distances
mode
- 1: only bond distances
mode
- 2: only show polar contact distances
PYMOL API
cmd.distance( string name, string selection1, string selection2, string cutoff, string mode ) # returns the average distance between all atoms/frames
EXAMPLES
- Get and show the distance from residue 10's alpha carbon to residue 40's alpha carbon in 1ESR:
# make the first residue 0. zero_residues 1esr, 0 distance i. 10 and n . CA, i. 40 and n. CA
- Get and show the distance from residue 10's alpha carbon to residue 35-42's alpha carbon in 1ESR:
# make the first residue 0. zero_residues 1esr, 0 distance i. 10 and n . CA, i. 35-42 and n. CA
- 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)
distance (selection1), (selection2) # example dist i. 158 and n. CA, i. 160 and n. CA distance mydist, 14/CA, 29/CA distance hbonds, all, all, 3.2, mode=2

