Thursday, 23 February 2017
AVOGADRO Molecular Modeling
Avogadro adalah Aplikasi gratis open source, cross-platform, fleksibel dan extensible software pemodelan molekul, itu khusus berguna jika Anda seorang Siswa/Mahasiswa yang belajar kimia, atau profesional dalam ilmu material, kimia komputasi, bioinformatika atau lapangan pemodelan molekul.
Free Open Source Molecular Modeling Software
fitur
Memutar, zoom in / out, bergerak tampilan dengan mouse.
Tambahkan molekul baru dari tabel periodik unsur: hidrogen, helium, litium, berilium, boron, karbon, nitrogen, oksigen, fluor, neon, natrium, magnesium, aluminium, silikon, fosfor, sulfur, klor, argon, potassim, kalsium, skandium, titanium, vanadium, kromium, mangan, besi, kobalt, nikel, tembaga, seng, galium, germanium, arsen, selenium, brom, kripton, rubidium, strontium, yttrium, zirkonium, niobium, molibdenum, technetium, ruthenium, rhodium, paladium, perak, kadmium, indium, timah, antimon, tellurium, yodium, xenon, cesium, barium, lantanum, hafnium, tantalum, tungsten, renium, osmium, iridium, platinum, emas, merkuri, thallium, timah, bismuth, polonium, astatine, radon, fransium, radium, aktinium, RUTHERFORDIUM, Dubnium, seaborgium, Bohrium, hassium, Meitnerium, Darmstadtium, roentgenium, Copernicium, ununtrium, ununquadium, ununpentium, ununhexim, ununseptium, ununoktium, cerium, praseodymium, neodymium, promethium, samarium, europium, gadolinium, terbium, dysprosium, holmium, erbium, thulium, ytterium, lutetium, thorium, protactinium, uranium, neptunium, plutonium, amerisium, curium, berkelium, californium, einsteinium, fermium, mendelevium, nobelium, lawrensium.
Cut, copy, paste, menghapus elemen yang dipilih.
Memanipulasi molekul dengan python.
Terbuka cml, xyz, pdb, alc, CDX, cdxml, ent, GPR, mdl, mol, sdf, sd, dmol, INP, gamin, gamout, fract, GJF, gzmat, mol2, NWO, keluar, masuk, PGR, dat , file output, gamout, G98, G03, cif, fchk, hin, ent.
Simpan ke format molekul umum (cml, xyz, ent, pdb, alc, chm, CDX, cdxml, c3d1, c3d2, GPR, mdl, mol, sdf, sd, crk3d, cht, dmol, BGF, gam, INP, gamin, gamout, Tmol, fract, gau, gzmat, mPD, mol2, NWO), file cml, input Gamess Us (gamin) file, Gaussian Cartesian input (gau) file, Gaussian Z-matriks input (gzmat) file, DML SDfile (mol) file, file pdb, NWChem input (nw) file, Sybyl mol2 (mol2) file.
Ekspor ke png, jpg, jpeg, bmp, pdf, svg, eps file ROV-ray.
sifat Lihat molekul (berat molekul, rumus kimia, energi, diperkirakan momen dipol, jumlah atom, jumlah obligasi), sifat Atom, properti Bond, properti Angle, sifat Torsi, sifat Conformer.
Masukkan Fragment, SMILES, Peptide (Ala, Arg, Asn, Asp, Cys, Glu, Gln, Gly, Nya, Ile, Leu, Lys, Met, Phe, Pro, Ser, Thr, Trp, Tyr, Val).
Membuat adegan dengan shader GLSL ditentukan (vertex shader dan fragmen shader).
Beberapa Fields Angkatan tersedia: Ghemical, MMFF94, MMFF94s, UFF.
Membuat animasi untuk file avi.
Dan masih banyak lagi…
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