Show contacts
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| Type | PyMOL Plugin |
|---|---|
| Download | plugins/show_contacts.py |
| Author(s) | David Ryan Koes |
| License | CC BY 4.0 |
| This code has been put under version control in the project Pymol-script-repo | |
Introduction
PyMOL Plugin for displaying polar contacts. Good hydrogen bonds (as determined by PyMOL) are shown in yellow. Electrostatic clashes (donor-donor or acceptor-acceptor) are shown in red. Close (<4.0 A) but not ideal contacts are shown in purple. Cutoffs are configurable. Exports the command `contacts` which takes two selections and an optional name for the generated contacts group. Alternatively, the selections can be chosen using a dialog box accessible from the Plugins menu.
Usage
show_contacts sel1, sel2, result="contacts", cutoff=3.6, bigcutoff=4.0
Required Arguments
- sel1 = first selection
- sel2 = second selection
Optional Arguments
- result = name of created group containing contacts
- cutoff = cutoff for good contacts (yellow dashes)
- bigcutoff = cutoff for suboptimal contacts (purple dashes)