mindist/maxdist
Calculate the minimum or maximum distance between pairs of atoms/residues/molecules
{min|max}dist mask1 <mask1> [mask2 <mask2>] [{byatom|byres|bymol}] [noimage] [name <setname>] [out <file>] [resoffset <#>]
mask1 <mask1>
First mask for selecting atoms.
[mask2 <mask2>]
Optional second mask for selecting atoms.
[{byatom|byres|bymol}]
byatom
Report the minimum or maximum distance between atoms in <mask1>
or between atoms in <mask1>
and atoms in <mask2>
.
byres
Report the minimum or maximum distance between all residue pairs selected by <mask1>
, or pairs of residues selected by <mask1>
and residues selected by <mask2>
(excluding certain pairs, see resoffset).
bymol
Report the minimum or maximum distance between all molecule pairs selected by <mask1>
, or pairs of molecules selected by <mask1>
and molecules selected by <mask2>
.
[noimage]
Do not use the minimum image convention for distances.
[name <setname>]
Output data set name.
[out <file>]
Write data to <file>
.
[resoffset <#>]
For byres
, ignore residue pairs if the difference in residue numbers is greater than the cutoff (default 1).
Data Sets Created:
<name>
For byatom
, a set containing the minimum or maximum distance for each frame.
<name>[<#>_<#>]
For byres/bymol
, a set containing the minimum or maximum distance between the residue/molecule pair specified by the numbers in the aspect, e.g. ’<name>[1_3]
’ for byres
would be between residues 1 and 3.
Calculate the minimum or maximum distance in Angstroms between atoms or residue/molecule pairs.