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.

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