Download
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 to post any bug or request under BUGS & REQUESTS menu. (sourceforge account will be needed).
Features
- Fully automatic MIP generation given a simple PDB file.
- Open-source code. Users are welcome to contribute extending the probes or improving the code.
- Calculate grid based molecular interaction potentials over peptides and other macromolecular systems (probably still slow for large systems)
- Calculate MIP over small molecules
- Customizable probes. Already implemented: Hydrophobic, H-Bond donor, H-Bond acceptor and electrostatics probes.
- Automatic assignment of atom types to small molecules and proteins by interfacing with opensource Antechamber and tLeap from AmbertTools package (http://ambermd.org)
Project Samples
License
GNU General Public License version 2.0 (GPLv2)Follow MIPGen
Other Useful Business Software
Enterprise-grade ITSM, for every business
Freshservice is an intuitive, AI-powered platform that helps IT, operations, and business teams deliver exceptional service without the usual complexity. Automate repetitive tasks, resolve issues faster, and provide seamless support across the organization. From managing incidents and assets to driving smarter decisions, Freshservice makes it easy to stay efficient and scale with confidence.
Rate This Project
Login To Rate This Project
User Reviews
Be the first to post a review of MIPGen!