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Revision as of 06:57, 27 November 2018

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Welcome to the PyMOL Wiki!
The community-run support site for the PyMOL molecular viewer.
To request a new account, email SBGrid at: accounts (@) sbgrid dot org
Quick Links
Tutorials Table of Contents Commands
Script Library Plugins FAQ
Gallery | Covers PyMOL Cheat Sheet (PDF) Getting Help
News & Updates
POSF New PyMOL fellows announced for 2018-2019
Tutorial Plugins Tutorial updated for PyQt5
Official Release PyMOL v2.2 has been released on July 24, 2018.
New Plugin ProBiS H2O is a new plugin for identification of conserved waters in protein structures.
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...

Pdb conect all

When saving a PDB file, the pdb_conect_all settings controls whether PyMOL writes CONECT records for all bonds, or only for HETATM bonds.

PDB files by convention do not contain bond information for standard polymer residues (ATOM records), because the connectivity is known for those.

If a PDB file contains at least one CONECT record for two atoms from ATOM records, then PyMOL will set pdb_conect_all=on as an object-level setting, to again write CONECT records for all bonds when saving that object to a PDB file.

Values

  • off turns the feature off, CONECT records are written for HETATM bonds only
  • on turns the feature on, CONECT records are written for all bonds

Example

The PDB file for 1rx1 contains 52 CONECT records (for the ligands).

fetch 1rx1, async=0
set pdb_conect_all, on
save 1rx1_conect_all.pdb

Now the file 1rx1_conect_all.pdb contains 1316 CONECT records.

See Also

A Random PyMOL-generated Cover. See Covers.