ニュース

「Biophysics and Physicobiology」にItaru Onishi et al. “A tool written in Scala for preparation and analysis in MD simulation and 3D-RISM calculation of biomolecules”を掲載

2019年11月29日 学会から

日本生物物理学会欧文誌[Biophysics and Physicobiology]に以下の論文が新規掲載されました。

Itaru Onishi, Hiroto Tsuji, Masayuki Irisa “A tool written in Scala for preparation and analysis in MD simulation and 3D-RISM calculation of biomolecules”

【Significance】
A Scala tool for molecular dynamics simulation and 3D-RISM calculation of biomolecules

We described a tool called STCSB written in Scala for computational biophysics allowing users to analyze molecular
dynamics and perform 3D-RISM theory (a statistical mechanics theory) calculations to study biomolecules. STCSB is a cross-platform application running on a Java virtual machine and has prepared application interfaces, e.g. GUI supporting 3D-RISM pre-processing, MD trajectory analyzer, validator of atoms and residues in PDB/PDBML files, and molecular graphics with a stereoscopic view. STCSB employs the MVC architectural pattern as its programming architecture, which enables the incremental addition of functions calling external application-software.

Biophysics and Physicobiology, Vol.16, 485-489
URL:https://doi.org/10.2142/biophysico.16.0_485


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