Bond Breaking in Geant4 simulation

Hi Everyone
Hope all of you are fine and doing well.Can anyone please help me for following. I badly need help on this.

I’m new in GEANT4 and doing simulation on PDB4DNA collagen molecule. I did the simulation and got number of DSB and DSB in Root analysis but I got stuck at one point. I need to show exactly which bonds breaks in the simulation of collagen molecule also I need to show is any hydroxyl bond exist in collagen molecule. I tried but didn’t find any way to show this.
Could anyone please help me by telling how I can show exactly which bonds break in the simulation of collagen molecule in GEANT4 and any is hydroxyl bond exist in collagen molecule?

Thanks.

Dear,

The PDB4DNA example builds a Geant4 geometry at atomic level (Please see the README file). Due to number of atomic sphere, this example is limited the DNA bp. But you can see the number of SSB and DSB for this DNA. I don’t know if collagen molecule is existed in PDB. But if yes, you can try with collagen molecule data files. They should have the same format.

Hi
Thanks for reply.

Yes Pdb4dna file exists the collagen molecule. I got the number of SSB and DSB after Root analysis, but I need to see exactly which bond is breaking in the molecule. I’m trying for this but I didn’t find any way to get the physical visualization of bond breaking.

Thanks

No, you cannot visualize damage. Maybe you can try to localize the SSB and link the position with the bond in your geometry. Please have a look in function: SteppingAction::CheckAndProcessDNAHit