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