Difference between revisions of "Main Page"

Type	Python Module
Download	renumber.py
Author(s)	Thomas Holder
License	BSD-2-Clause
	This code has been put under version control in the project Pymol-script-repo

Latest revision as of 12:54, 12 March 2024

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Welcome to the PyMOL Wiki!
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Script Library	Plugins	FAQ
Gallery \| Covers	PyMOL Cheat Sheet (PDF)	Getting Help

News & Updates
Official Release	PyMOL v3.0 has been released on March 12, 2024.
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...

Renumber

renumber sets new residue numbers (resi) for a polymer based on connectivity.

Example

This examples takes a pdb structure with insertion codes and sets a new, linear numbering based on Q8N2U3_HUMAN.

fetch 1h4w, async=0

# move everything which is not polymer to another chain
alter not polymer, chain="B"

# renumber polymer, first 27 residues of Q8N2U3_HUMAN missing.
renumber chain A, 28

This example fixes numbering after concatenating two chains with fuse. Note that the cartoon representation and the sequence viewer need sorting to display correctly.

fab ACDEFG, chain1
fab HIKLMN, chain2

disable chain1
as cartoon

fuse last (chain1 and name C), first (chain2 and name N)
renumber chain2
sort chain2

== ..→

A Random PyMOL-generated Cover. See Covers.

@@ Line 28: / Line 28: @@
 {| class="jtable" style="float: left; width: 90%;"
 |+ style="font-size: 1.4em; font-weight: bold; text-align:left; border-bottom: 2px solid #6678b1;" | News &amp; Updates
+|-
+! Official Release
+| [https://pymol.org PyMOL v3.0 has been released] on March 12, 2024.
+|-
+! 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 NVIDIA-BioNeMo], [https://ai.facebook.com/blog/protein-folding-esmfold-metagenomics/ ESMFold] and retrieve [https://www.deepmind.com/research/highlighted-research/alphafold Alphafold] models
+|-
+! Official Release
+| [https://pymol.org PyMOL v2.5 has been released] on May 10, 2021.
+|-
+! Python 3
+| New [[2to3|Python 3 compatibility guide]] for scripts and plugins
 |-
 ! POSF
-| [https://pymol.org/fellowship New PyMOL fellows announced for 2018-2019]
+| [https://pymol.org/fellowship New PyMOL fellowship announced for 2022-2023]
 |-
 ! Tutorial
 | [[Plugins Tutorial]] updated for PyQt5
-|-
-! Official Release
-| [https://pymol.org PyMOL v2.2 has been released] on July 24, 2018.
 |-
 ! New Plugin
-| [[ProBiS_H2O|ProBiS H2O]] is a new plugin for identification of conserved waters in protein structures.
+| [[PICv|PICv]] is a new plugin for clustering protein-protein interactions and visualization with available data from PDBe
 |-
 ! Selection keywords

Difference between revisions of "Main Page"

Latest revision as of 12:54, 12 March 2024

Renumber

Example

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