DOT

Description

dot website

This module enables the use of DOT software DOT is a software package for docking macromolecules, including proteins, DNA, and RNA. DOT performs a systematic, rigid-body search of one molecule translated and rotated about a second molecule. The intermolecular energies for all configurations generated by this search are calculated as the sum of electrostatic and van der Waals energies. These energy terms are evaluated as correlation functions, which are computed efficiently with Fast Fourier Transforms. In a typical run, energies for about 108 billion configurations of two molecules can be calculated in a few hours on a few desktop workstations working in parallel.

Environment Modules

Run module spider dot to find out what environment modules are available for this application.

Environment Variables

• HPC_DOT_DIR - installation directory
• HPC_DOT_BIN - executable directory

Categories

biology, chemistry