PDB4DNA: Implementation of DNA geometry from the Protein Data Bank (PDB) description for Geant4-DNA Monte-Carlo simulations

Abstract
This paper describes PDB4DNA, a new Geant4 user application, based on an independent, cross-platform, free and open source C++ library, so-called PDBlib, which enables use of atomic level description of DNA molecule in Geant4 Monte Carlo particle transport simulations. For the evaluation of direct damage induced on the DNA molecule by ionizing particles, the application makes use of an algorithm able to determine the closest atom in the DNA molecule to energy depositions. Both the PDB4DNA app...

Title of program: PDB4DNA
Catalogue Id: AEWB_v1_0

Nature of problem
To evaluate strand breaks induced on the DNA molecule by ionizing particles using Monte Carlo method. It requires the implementation of DNA geometry, physical processes adapted to nanodosimetry simulations and an algorithm to determine the closest atom in the DNA molecule to energy depositions.

Versions of this program held in the CPC repository in Mendeley Data
AEWB_v1_0; PDB4DNA; 10.1016/j.cpc.2015.02.026

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

摘要
本论文描述了PDB4DNA，一款基于独立、跨平台、免费且开源的C++库（即PDBlib）的新Geant4用户应用。PDBlib库允许在Geant4蒙特卡洛粒子输运模拟中使用对DNA分子原子级别的描述。为了评估电离粒子对DNA分子造成的直接损伤，该应用利用一种算法来确定DNA分子中与能量沉积最近的原子。PDB4DNA应用...