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Revision as of 15:21, 14 November 2018 by Speleo3 (talk | contribs) (Plugins Tutorial updated for PyQt5)
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Tutorial Plugins Tutorial updated for PyQt5
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New Script dssr_block is a wrapper for DSSR (3dna) and creates block-shaped nucleic acid cartoons
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FindObjectsNearby

== Overview ==

This script returns the names of all objects (in state 1) that are within a certain cutoff distance from your provided target. For example, if you load an MD trajectory and are watching the binding pocket, you can select the ligand and then find out which loaded files are within 5 Ang, say, of that ligand atom.

The Code

<source lang="python" enclose="pre">

  1. -*- coding: utf-8 -*-
  2. findObjectsNearby.pml -- Get object names within a given radius of the target

def findObjectsNearby( target="", radius=2.0, doPrint=False, fileName="" ): """ DESCRIPTION: finds all PyMOL object names within [radius] Angstroms of [target].

PARAMETERS: target, the base selection/object around which to search for things radius, the radius of the sphere centered around target within which to search doPrint, boolean, if True print the results to console, False no printing fileName, string, if not blank the list called [fileName] is written to disk

RETURNS: [list] of results or None if bad input.

NOTES: * ..→

A Random PyMOL-generated Cover. See Covers.