Get raw distances
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| Type | Python Module |
|---|---|
| Download | get_raw_distances.py |
| Author(s) | Takanori Nakane and Thomas Holder |
| License | BSD-2-Clause |
| This code has been put under version control in the project Pymol-script-repo | |
|
Included in psico | |
| Module | psico.querying |
|---|---|
get_raw_distances can dump distance objects, created with distance.
This script also provides the command select_distances, which selects atoms from distance objects.
Warning: the atoms are hashed by coordinates; this could cause issues if coordinates are altered after distance objects have been created (see also dynamic_measures setting).
Usage
get_raw_distances [ names [, state [, selection ]]]
select_distances [ names [, name [, state [, selection [, cutoff ]]]]]
Arguments
- names = string: names of distance objects (no wildcards!) {default: all measurement objects}
- state = integer: object state {default: 1}
- selection = string: atom selection {default: all}
Example
fetch 2xwu, async=0
# interface polar contacts
distance iface_hbonds, chain A, chain B, mode=2
# dump (model,index) information
get_raw_distances iface_hbonds
Example Atom Selection
# select atoms
select_distances iface_hbonds, hbsele
# nice representation
set cartoon_side_chain_helper
set sphere_scale, 0.5
as cartoon, 2xwu
show sticks, byres hbsele
show spheres, hbsele