Search Results for "structural analysis software"

DockStream is a docking wrapper providing access to a collection of ligand embedders and docking backends. Docking execution and post hoc analysis can be automated via the benchmarking and analysis workflow. The flexilibity to specifiy a large variety of docking configurations allows tailored protocols for diverse end applications. DockStream can also parallelize docking across CPU cores, increasing throughput. DockStream is integrated with the de novo design platform, REINVENT, allowing one to incorporate docking into the generative process, thus providing the agent with 3D structural information.

Analysis tools for scale test data generated by The Grinder.

sarface is a user-interface to the sysstat/sar database which inputs data from sar and plots to a live X11 graph via gnuplot. It mimics the cmd-line options from sar but can cross-plot any two or more stats and apply simple mathematical functions them.

This project is an approach to automating the testing of performance properties of complex systems.Just like functional specs for software we aim to develop an executable language for asserting performance expectations of a program.This implements Sharon