Open3DGRID is an open-source software aimed at high-throughput generation of molecular interaction fields (MIFs). Open3DGRID can generate steric potential, electron density and MM/QM electrostatic potential fields; furthermore, it can import GRIDKONT binary files produced by GRID and CoMFA/CoMSIA fields (exported from SYBYL with the aid of a small SPL script).

High computational performance is attained through implementation of parallelized algorithms for MIF generation.

Most prominent features in Open3DGRID include:
1. Seamless integration with OpenBabel, PyMOL, GAUSSIAN, FIREFLY, GAMESS-US, MOLDEN, Molecular Discovery GRID
2. Multi-threaded computation of MIFs (both MM and QM); support for MMFF94 and GAFF force-fields with automated assignment of atom types to the imported molecular structures
3. Human and machine-readable text output, integrated with 3D maps in several formats to allow visualization of results in PyMOL, MOE, Maestro and SYBYL
4. User-friendly interface to all major QM packages (e.g. GAUSSIAN, FIREFLY, GAMESS-US, MOLDEN), allows calculation of QM electron density and electrostatic potential 3D maps from within Open3DGRID
5. User-friendly interface to Molecular Discovery GRID to compute GRID MIFs from within Open3DGRID

Usage
open3dgrid [OPTION...]
-i <filein> Input is read from <filein>
-o <fileout> Output is written to <fileout>
-p Input is piped through standard input
-?, --help Give this help list
--usage Give a short usage message
-V, --version Print program version

The license of this software is Free, you can free download and free use this 3d graphic software.