Search Results for "dynamic process simulation"

This GUI Software Allows Researchers to - Build PL complex and visualize Protein-Ligand Interaction(3D/2D) - SES surface and vdw radii to observe cavity - Run MD simulation for Protein-Ligand System with CUDA or OpenCL - Visualize MD simulation, Save as MP4 and Analyze MD Plots like RMSD, RMSF and FEL etc. - Get Dynamic Interaction Occupancy and Energetics Per Frame to classify amino acid residues as anchors, transient, accessible and non hotspots. - Frame wise scoring with AD4 scoring, vina, vinardo and dkoes_scoring Available currently in Windows 10/11, CUDA version 12 and above Any Issues, contact: kabeermuzammil614@gmail.com

A toolkit in C++ and python to process both experimental and simulation data of colloidal particles. Includes among others * a multiscale particle tracking algorithm [1] whose C++ implementation is optimised for 3D confocal data. Python implementation is more versatile (2D and 3D data). * a Leica file reader, * Steindhard bond orientational order calculation * a VTK file writer 1.

NanoCap is a generic application for the construction of low energy fullerene and capped nanotube structures. It provides an ideal tool to accompany the study of finite carbon molecules using computer simulation. The implementation involves a standalone application which includes a GUI and allows for dynamic visual inspection through 3D rendering. In addition, the NanoCap core libraries can be used in custom Python scripts that enabled the user to produce structures in bulk or to include the structure generation routines into pre-existing code.

The Self-Organizing Map Maker for Education and Research. Features include 3D-visualization of the training process, various 2D and 3D map topologies, easy extensibility to additional topologies.

Our goal is to create an open source framework and toolset for modeling dynamic cellular network functions, and to develop a user community committed to using, extending and exploiting these tools to further our knowledge of biologic processes.