HyperChem ialah suatu program simulasi dan pemodelan molekular yang memung-kinkan perhitungan kimiawi yang kompleks. HyperChem mencakup fungsi-fungsi berikut: • Membuat sketsa dwimatra (2D) molekul dari atom-atom penyusunnya, lalu mengubahnya menjadi model trimatra (3D) dengan HyperChem Model Builder. • Memilih residu-residu standar secara berurutan dari perpustakaan asam amino dan nukleotida HyperChem/Lite untuk membangun protein dan asam nukleat. • Membaca tipe atom dan koordinat molekular yang telah disimpan sebagai arsip HIN (masukan HyperChem yang dibuat sebelumnya) atau arsip ENT (mengambil dari sumber lain, yaitu Brookhaven Protein Data Bank/PDB) • Menata kembali molekul, misalnya dengan memutar atau menggesernya. • Mengubah kondisi tampilan, termasuk penampakan ruang, model molekul, dan label struktural. • Merancang dan melakukan perhitungan kimiawi, termasuk dinamika molekular. • Tersedia berbagai metode mekanika molekular maupun mekanika kuantum (semiempiris atau ab initio).

Perhitungan mekanika molekular menggunakan medan gaya MM+, AM-BER, BIO+, atau OPLS, sedangkan mekanika kuantum semiempiris meliputi extended H端ckel, CNDO, INDO, MINDO3, MNDO, AM1, PM3, ZINDO/I, dan ZINDO/S. • Penetapan efek isotop dalam perhitungan analisis vibrasional untuk metode-metode SCF ab initio dan semiempiris.

• Membuat grafik Excel dari hasil perhitungan kimiawi. • Mensolvasikan molekul dalam kotak periodik.

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HyperChem 8.0. Remove Duplicate Files Software more. 8(Full and Portable) 247 Mb 176 Mb HyperChem Release 8.0 is the newest Windows member of the HyperChem Family. Computational methods include molecular mechanics, molecular dynamics, and semi-empirical and ab-initio molecular orbital methods, as well as density functional theory. HyperChem Data and HyperNMR are included as part of HyperChem. New features are continually added and include elegant Open GL rendering, TNDO, RM1, Charmm protein simulations, molecules in magnetic fields, interfaces to third-party applications, calculations of structure, spectra, rate constants and much more. HyperChem is applicable to macromolecules as well as small molecules and is scriptable. The newest version, HyperChem Release 8.0, is a full 32-bit application, developed for the Windows 95, 98, NT, ME, 2000, XP, and Vista operating systems. HyperChem Release 8.0 incorporates even more powerful computational chemistry tools than ever before, as well as supporting multiple third-party applications.

Its drawing and rendering capabilities and ease of use are standards for the industry. Features: Select, rotate, translate, and resize structures with convenient mouse controlled tools. Modify settings to control operation of tools. Convert rough sketches into 3D structures with HyperChem’s model builder. Replace any selected Hydrogen with a variety of substituents including your own custom substituent. Apply builder constraints easily: specify bond lengths, bond angles, torsion angles, or the bonding geometry about a selected atom. Specify atom type, atom charge, formal charge and atomic mass.

Build clusters and complex molecular assemblies; move individual atoms and molecules as easily as you move groups. Build peptides and nucleic acids from amino acid and nucleotide residue libraries. Mutate residues and build large molecules incrementally (make changes at any point). Add a periodic box of pre-equilibrated water molecules for aqueous salvation studies.

Periodic boundary conditions can be used with other solvent systems, or without solvents. Import structures from standard file formats: Brookhaven PDB, ChemDraw CHM, MOPAC Z-matrix, MDL MOL and ISIS Sketch, and Tripos MOL2 files Download.