Analyses and Interactive visualizations of the structures, functions and actions of biomolecules including molecular surface computation, and protein-ligand interface and protein-ligand docking where the ligand could a small compound, a nucleic acid, membrane and other proteins, written in C++/Qt/openGL/GLSL with more than 125,000 lines of codes. In addition to Qt, the only external library needed is GSL everything else is coded from the scratch.
Features
- The accurate and robust computation of molecular surface of both interiors and exteriors with no modifications to atomic radius and no restart
- Qt/OpenGL/GLSL, SSE and parallel computation
- Rigorous processing of PDB structure files
- Structural clustering
- Best fitting of helix to helical curves
- Novel sheet representation that best catches both geometrical and physical properties
- Protein-ligand interfaces in terms of SES-derived properties where the ligand could be a small compound, a nucleic acid, membranes and other proteins
Project Samples
Follow irayMol
Other Useful Business Software
Loan management software that makes it easy.
Bryt Software is ideal for lending professionals who are looking for a feature rich loan management system that is intuitive and easy to use. We are 100% cloud-based, software as a service. We believe in providing our customers with fair and honest pricing. Our monthly fees are based on your number of users and we have a minimal implementation charge.
Rate This Project
Login To Rate This Project
User Reviews
Be the first to post a review of irayMol!
