CHARMM molecular manipulation

Model building, manipulation. Stick, ball-and-stick, space-filling, and dot surface display. Semiempirical calculations by extended Hiickel, CNDO, INDO/1, INDO/S, MINDO/3, MNDO, AMI PM3, ZINDO/1, and ZINDO/S. UV, IR, electrostatic potential, and molecular orbital plots. 2D-to-3D conversion. Protein and DNA fragment libraries. MM4-, BIO-I- (implementations of MM2 and CHARMM, respectively), OPTS, and AMBER molecular mechanics and dynamics. Solvent box. ChemPlus for 3D rendering, conformational searching, modeling biomolecules, computing log P and other QSAR properties. PCs under DOS and Windows. 

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