Rep:Mod:NCI
Based on the Jmol script by Henry Rzepa and the Jmol implementation by Bob Hanson (see documentation).
NCI Visualiser
Usage
- Open the .chk file of a calculation.
- On Results/Surfaces, under Cube Actions select New Cube. Use the Total density and a medium or fine grid (a fine grid will take a long time to calculate and use a lot of space!).
- Under Cube Actions select Save Cube. Make sure you save to the C: as Jmol doesn't interpret network mapping (ie it can't read from the H:).
- Load this file into the applet below.
- Change parameters as necessary.
Generator
Parameters
| Cutoff: | |
| p1: | |
| p2: | |
| p3: | |
| p4: | |
| p5: |
Image Parameters
| Image scale: |