Eigenvector Projection on PDB structure

[igorsdub]

Description

Currently, no module in DDPT visualizes eigenvectors in 3D space.
PROJECT module is doing something similar by moving PDB coordinates by the eigenvector value which results in a new PDB structure. However, no arrows are drawn.
Take inspiration from PyANM plugin for PYMOL.

Figure Desired behaviour of PROJECT module.

Implementation

Draw arrows at ENM node coordinate placements.

Next Steps

Mode trajectories visualization. Still, use PyANM as a template.

References

• PyANM

[igorsdub]

Update

modevectors.py is a PyMOL wiki script that can draw eigenvectors between two structures.
Thus, PDB structures produced by the PROJECT module are sufficient.

Note

This script does not produce intermediate trajectories between two structures nor inverts mode coordinates. Something else must be done for mode trajectory visualization.