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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
| [[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 11:08, 24 December 2022

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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
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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!
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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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Pairwise distances

Type Python Script
Download figshare
Author(s) Pietro Gatti-Lafranconi
License CC BY 4.0

Introduction

Given any two selections, this script calculates and returns the pairwise distances between all atoms that fall within a defined distance.

Can be used to measure distances within the same chain, between different chains or different objects.

Distances can be restricted to sidechain atoms only and the outputs either displayed on screen or printed on file.


Usage

pairwise_dist sel1, sel2, max_dist, [output=S/P/N, [sidechain=N/Y, [show=Y/N]]]


Required Arguments

  • sel1 = first selection
  • sel2 = second selection
  • max_dist = max distance in Angstroms


Optional Arguments

  • output = accepts Screen/Print/None (default N)
  • sidechain = limits (Y) results to sidechain atoms (default N)
  • show = shows (Y) individual ..→
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