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POSF New PyMOL fellows announced for 2018-2019
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New Plugin ProBiS H2O is a new plugin for identification of conserved waters in protein structures.
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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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Type Python Script
Download
Author(s) Zhenting Gao
License

Introduction

RMSD between two structures of the same protein. The concept is similar as RMSF between two structures.

  • programming
    • Platform
      • PyMOL
        • rms_cur
    • Feature
      • Output
        • RMSD of all atoms of each residues pairs
        • Least RMSD of all atoms of each residues pairs
          • symmetry of Phe, Tyr, His, Asp, Glu, Gln, Asn, Arg, Leu and Val needs to be considered
            • switch the atom name and then calculate the RMSD again
            • Selected least RMSD of a residue pair for report
              • RMSD of backbone atoms of each residues pairs
              • RMSD of C alpha atoms of each residues pairs
          • With defined residues pairs
            • Residue pair can be limited to within binding site
    • Workflow
      • Read reference and target pdb files
        • two structures should be superposed before using this function
  • Note
    • Python
    • PyMOL
      • Clean attributes
        • otherwise rms_cur will fail
      • How to get residue name?
        • residue name, residue ..→
A Random PyMOL-generated Cover. See Covers.