Subsections


pymol.tensor_pdb

Image pymol_icon

Synopsis

Display the diffusion tensor PDB geometric object over the loaded PDB.

Defaults

pymol.tensor_pdb(file=None)

Keyword arguments

file: The name of the PDB file containing the tensor geometric object.

Description

In executing this user function, a PDB file must have previously been loaded into this data pipe a geometric object or polygon representing the Brownian rotational diffusion tensor will be overlain with the loaded PDB file and displayed within PyMOL. The PDB file containing the geometric object must be created using the complementary structure.create_diff_tensor_pdb user function.

The tensor PDB file is read in using the command:

load file

The centre of mass residue `COM' is displayed using the commands:

select resn COM
show dots, `sele'
color blue, `sele'

The axes of the diffusion tensor, the residue `AXS', is displayed using the commands:

select resn AXS
hide (`sele')
show sticks, `sele'
color cyan, `sele'
label `sele', name

The simulation axes, the residues `SIM', are displayed using the commands:

select resn SIM
colour cyan, `sele'


The relax user manual (PDF), created 2016-10-28.