𝔖 Bobbio Scriptorium
✦   LIBER   ✦

SIMLYS — a software package for trajectory analysis of molecular dynamics simulations

✍ Scribed by Peter Krüger; Mathias Lüke; Angelika Szameit


Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
797 KB
Volume
62
Category
Article
ISSN
0010-4655

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


nMoldyn: A program package for a neutron
✍ T. Róg; K. Murzyn; K. Hinsen; G. R. Kneller 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 191 KB

## Abstract We present a new implementation of the program __n__Moldyn, which has been developed for the computation and decomposition of neutron scattering intensities from Molecular Dynamics trajectories (Comp. Phys. Commun 1995, 91, 191–214). The new implementation extends the functionality of t

IBIsCO: A molecular dynamics simulation
✍ Hossein Ali Karimi-Varzaneh; Hu-Jun Qian; Xiaoyu Chen; Paola Carbone; Florian Mü 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 501 KB

## Abstract IBIsCO is a parallel molecular dynamics simulation package developed specially for coarse‐grained simulations with numerical potentials derived by the iterative Boltzmann inversion (IBI) method (Reith et al., J Comput Chem 2003, 24, 1624). In addition to common features of molecular dyn

MDAnalysis: A toolkit for the analysis o
✍ Naveen Michaud-Agrawal; Elizabeth J. Denning; Thomas B. Woolf; Oliver Beckstein 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 873 KB

## Abstract MDAnalysis is an object‐oriented library for structural and temporal analysis of molecular dynamics (MD) simulation trajectories and individual protein structures. It is written in the Python language with some performance‐critical code in C. It uses the powerful NumPy package to expose