Search Results for "compound file"

NOTE: Moved to https://github.com/vapier/pcalc Pcalc is a command line calculator handling HEX DEC OCT BIN. It can process a script, save variables to file, full math parser, parentheses, exponential, sin/cos, sqrt, date, inch/mm celsius/f, compound expressions ...

VDT - Visual Disk Test : performs I/O tests on files, partitions, and/or disks with visual feedback/follow-up, offering flexible test area selection by size, location, percent, or combinations thereof, plus test duration control by time or size.

CS-Miner stands for Chemical Space Miner and is a software tool for navigating in chemical space of compound databases. It helps for deriving appropriate classification models and performing virtual screening. Download it via: http://csminer.com/csm/?p=7 A quick tutorial is available through: http://csminer.com/csm/?p=8

Molecular Interaction Potential Generator MIPGEN is a python program that will calculate Molecular Interaction Potential grids over a given molecule, that could be either a protein or a small organic compound (drug). The output will be a series of grids with DX format (*.dx) that the user will be able to visualize using any Molecular visualization program like VMD, PyMol, Chimera... For more information on dependencies and usage, please read the Documentation. Users are welcome...