pdbtop

Tutorials

  • Tutorial 0: Install pdbtop
  • Tutorial 1: A Standard Protein
  • Tutorial 2: Ligand Preparation
  • Tutorial 3: A Protein and its Covalently Bonded Ligand
  • Tutorial 4: Modifications and Mutations
  • Tutorial 5: Get A Better PDB File
  • Tutorial 6: Define My Own Modification
  • Tutorial 7: Supercell of a Molecule

Manual

  • 1. check
  • 2. remove
  • 3. topol
  • 4. modify
  • 5. ligand
  • 6. pdb
  • 7. psf
  • 8. solvate
pdbtop
  • Index

Index

Symbols | C | M

Symbols

  • --add-bonds
    • command line option
  • --add-rtfs
    • command line option, [1]
  • --box
    • command line option, [1]
  • --chains
    • command line option
  • --charge
    • command line option
  • --del-atom
    • command line option
  • --droplet
    • command line option
  • --in
    • command line option, [1], [2], [3], [4], [5], [6]
  • --ionic-strength
    • command line option
  • --ions
    • command line option
  • --ligands
    • command line option
  • --merge
    • command line option
  • --move
    • command line option
  • --mutate
    • command line option
  • --no-add-ions
    • command line option
  • --no-patching-terminus
    • command line option
  • --out
    • command line option, [1], [2], [3], [4], [5], [6], [7]
  • --pbc
    • command line option
  • --super-cells
    • command line option
  • --top
    • command line option, [1], [2]
  • --waters
    • command line option
  • -i
    • command line option, [1], [2], [3], [4], [5], [6]
  • -m
    • command line option
  • -o
    • command line option, [1], [2], [3], [4], [5], [6], [7]
  • -t
    • command line option, [1], [2]

C

  • command line option
    • --add-bonds
    • --add-rtfs, [1]
    • --box, [1]
    • --chains
    • --charge
    • --del-atom
    • --droplet
    • --in, [1], [2], [3], [4], [5], [6]
    • --ionic-strength
    • --ions
    • --ligands
    • --merge
    • --move
    • --mutate
    • --no-add-ions
    • --no-patching-terminus
    • --out, [1], [2], [3], [4], [5], [6], [7]
    • --pbc
    • --super-cells
    • --top, [1], [2]
    • --waters
    • -i, [1], [2], [3], [4], [5], [6]
    • -m
    • -o, [1], [2], [3], [4], [5], [6], [7]
    • -t, [1], [2]
    • Modifications

M

  • Modifications
    • command line option

© Copyright 2025, Jun Zhang.

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