Difference between revisions of "Main Page"

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(Added new plugin Cavitomix)
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! New Plugin
 
! New Plugin
| [[CavitOmiX|CavitOmiX]] calculate [https://innophore.com Catalophore™ Cavities], predict protein structures with [https://www.nvidia.com/en-us/gpu-cloud/bionemo OpenFold by NVIDEA-BioNeMo], [https://ai.facebook.com/blog/protein-folding-esmfold-metagenomics/ ESMFold] and retrieve [https://www.deepmind.com/research/highlighted-research/alphafold Alphafold] models
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| [[CavitOmiX|CavitOmiX]] calculate [https://innophore.com Catalophore™ cavities], predict protein structures with [https://www.nvidia.com/en-us/gpu-cloud/bionemo OpenFold by NVIDIA-BioNeMo], [https://ai.facebook.com/blog/protein-folding-esmfold-metagenomics/ ESMFold] and retrieve [https://www.deepmind.com/research/highlighted-research/alphafold Alphafold] models
 
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! Official Release
 
! Official Release

Revision as of 07:08, 24 December 2022

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Welcome to the PyMOL Wiki!
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Quick Links
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Script Library Plugins FAQ
Gallery | Covers PyMOL Cheat Sheet (PDF) Getting Help
News & Updates
New Plugin CavitOmiX calculate Catalophore™ cavities, predict protein structures with OpenFold by NVIDIA-BioNeMo, ESMFold and retrieve Alphafold models
Official Release PyMOL v2.5 has been released on May 10, 2021.
Python 3 New Python 3 compatibility guide for scripts and plugins
POSF New PyMOL fellowship announced for 2022-2023
Tutorial Plugins Tutorial updated for PyQt5
New Plugin PICv is a new plugin for clustering protein-protein interactions and visualization with available data from PDBe
Selection keywords New polymer.protein and polymer.nucleic selection keywords. Thanks everyone who participated in the poll!
Plugin Update MOLE 2.5 is an updated version of channel analysis software in PyMOL
New Script dssr_block is a wrapper for DSSR (3dna) and creates block-shaped nucleic acid cartoons
Older News See Older News.
Did you know...

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.