Millsian Beta Download
Downloading Millsian Beta 2.0
Main features:
-Evaluate molecules for binding sites, reactive sites, and pockets, using our exact charge distribution profiles and optimized molecular structures.
-Calculate optimized molecular structures for molecules not in existing databases. Reduce your reliance on molecular structure databases.
-Edit protein structures by auto-detecting missing hydrogens, and use our bond order correction tool for complex molecules like PDB heterogens.
-Calculate dipole moments and rotation barrier heights for molecular conformation changes.
-Convert between SMILES, MOL, and PDB file formats.
-Generate optimized 3D structures for molecules with complicated fused rings from SMILES input.
-Energy minimization including the following algorithms: Steepest Descent, Steepest Descent with dihedral angles, Simulated Annealing, Genetic Algorithm.
-Automatically adds hydrogen atoms to molecules to satisfy valence.
-Automatic generation of 3D coordinates for molecules including complex cyclic molecules.
-Turn on/off the chains in modeled and displayed proteins.
-Exact structure and energy of molecules, atoms and bonds contained in the molecules.
-Bio-pharma relevant molecular library.
-Amino acid template to facilitate modeling proteins.
-Base pair templates to facilitate modeling DNA and RNA.
-Calculate molecular dipole moment.
-Molecular conformation energy calculation.
-Display charge profile of the molecule surface.
-Renders combinations of solved covalent bonding function groups(essentially all molecules except metals and ionic compounds).
-These are calculated instantly on modern desktop computers.
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