Alphabetical List of Computational Chemistry Software

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[ A, B, C ] -- [ D, E, F ] -- [ G, H, I ] -- [ J, K, L ] [ M, N, O ] -- [ P, Q, R ] -- [ S, T, U ] -- [ V, W ] -- [ X, Y, Z ]

--- A, B, C --1. 2. 3. 4. 5. 6. 7. 8. 9. 10. 11. 12. 13. 14. 15. 16. 17. 18. 19. 20. 21. 22. 23. 24. 25. 26. 27. 28. 29. 30. 31. 32. 33. 34. 35. 36. 37. 38. 39. 40.
Abalone ALOGPS AAT - Analysis and Annotation Tool ABI PRISM AbM ABSEN ABSORB Absorption Package SSRL AcaClone Accord ACD/MS Manager ACD/NMR Manager ACD/UV-IR Manager AceDB ACES II Acorn NMR ADAPT ADESH ADVASP AGCT AiO ALCHEMY-II Alchemy-III AlleleID Alscript Amas AMBER AMMP AMPAC AMPAC 4.0 with GUI Amps AMSOL ADF (Amsterdam DFT) Anaconda Antheprot ANSIG AOMIX Apex-3D Argus ARITVE

41. 42. 43. 44. 45. 46. 47. 48. 49. 50. 51. 52. 53. 54. 55.

Array Designer ArraySCOUT Artemis The Art of Science ASP Assp Asterias Atomistix ToolKit AutoAssembler AutoDock AutoNom AURELIA Axes Axum AZARA

56. 57. 58. 59. 60. 61. 62. 63. 64. 65. 66. 67. 68. 69. 70. 71. 72. 73. 74. 75. 76. 77. 78. 79. 80. 81. 82. 83. 84. 85. 86. 87. 88. 89. 90. 91. 92. 93.

Babel File Conversion Beacon Designer Benchmark BIOCARTA BioCyc Bio Image BioinformiX BioLIMS BioMer BioMerge BioModel BioPad Biopend BIOPROP BioRainbow Analysis Tools bioSCOUT Biotools BioTracker BioVenn BlazeLIMS BlockSearch Bosque BOSS BRAGI BREADTH BUNYIP

C2*XGEN CACAO CAChe CACTVS CADPAC CALACO CAMELEON Camel Jockey CAMEO CARA (Computer Aided Resonance Assignment) Ca.R.Ine Cascade

94. CASTEP and CETEP 95. Catalyst 96. Catalyst for CombiChem 97. CAVEAT 98. CAVITY 99. CCP4 100. CCP14 101. Cell Illustrator 102. Cerius2/Biopolymer 103. C2*Protein Active Site Viewer 104. C2*Receptor 105. Cerius2/CADD 106. C2*Alignment 107. C2*Analog Builder 108. C2*CAVEAT 109. C2*DBAccess 110. C2*Diversity 111. C2*FieldFit 112. C2*GA 113. C2*Ludi 114. C2*MFA 115. C2*QSAR+ 116. CHAIN 117. CHARMm 118. Chem3D 119. Chemistry 4D Draw 120. ChemCLIPART 121. ChemCraft 122. ChemDIAGRAM 123. ChemDraw 124. chemEXHIBIT 125. Chemexper 126. ChemFileBrowser 127. ChemFinder Pro 128. ChemIntosh and ChemWindow 129. Chemkey 130. ChemOffice 131. ChemPen and ChemPen3D 132. ChemProtect 133. ChemProtein 134. ChemPlus 135. chemSAVER 136. Chemscape Chime 137. chemSCENES 138. ChemSpread 139. ChemSymphony 140. ChemTK 141. ChemTK Lite 142. chemVision 143. ChemWeb 144. ChemWindow 145. Chiron 146. CIARA: Chemical Information And Reaction Assistant 147. Chmoogle Chemistry Search Engine 148. Chromatool 149. Clann

150. 151. 152. 153. 154. 155. 156. 157. 158. 159. 160. 161. 162. 163. 164. 165. 166. 167. 168. 169. 170. 171. 172. 173. 174. 175. 176. 177. 178.

Class-VP CLC Free Workbench CLIP CLiDE COBRA CODESSA Cognia Molecular COLUMBUS Composer Concord CONFLEX"> CONGEN Consensus Constrictor CONVERT CORINA COSMOtherm Creator CrossGraphs CrystalDesigner CrystalDiffract CrystalMaker Crystallographica Cyrstal Studio CSEARCH CSD CSECM CURVES CVIS

--- D, E, F --179. 180. 181. 182. 183. 184. 185. 186. 187. 188. 189. 190. 191. 192. 193. 194. 195. 196. 197. 198. 199. 200. 201. 202. 203. 204.
Dalton DARC DataMontage Datasqueeze DayMenus DeCipher DeFT DelPhi DEREK for Windows Design-Ease Design-Expert Desmond DGEOM DIFRAC Discover DISCON DISCUS DIVA DMax Chemistry Assistant (QSAR) DMol DNADynamo DNA Sequence Analysis DNASIS DNPTrapper DOCK Dockingserver

205. 206. 207. 208. 209. 210. 211. 212. 213. 214. 215. 216. 217. 218. 219. 220. 221. 222. 223. 224. 225. 226. 227. 228. 229. 230. 231. 232. 233. 234.

DRAGON DRAWCRYS DRXWin DS DTREG model builder Dynama EasyFit ECEPP ECHIP Design of Experiments EduChem HS eHiTS EROS (Elaboration of Reactions for Organic Synthesis) Electrochemical Simulation Package Equiv Escher ETH Crystallography EuGene and SAm Explorer EyeChem ExPASy Expression Fantom FermWorks Felix FGENEH Flex FlexCryst FLIMSY Fortner Visualization Suite FRODO FRODO/Tom

--- G, H, I --235. 236. 237. 238. 239. 240. 241. 242. 243. 244. 245. 246. 247. 248. 249. 250. 251. 252. 253. 254. 255. 256. 257.
GAIA GAMESS Gaussian-94 GEMM GenBase GeneCards Genchek Gene Construction Kit GeneInform GeneHound Gene Inspector GeneJockey GeneLinker GeneMark GeneParser GeneScan GENESEQ GeneSifter GeneSolve GeneStudio Pro Genetool GeneWorks Genie

258. 259. 260. 261. 262. 263. 264. 265. 266. 267. 268. 269. 270. 271. 272. 273. 274. 275. 276. 277. 278. 279. 280. 281. 282. 283. 284. 285. 286. 287. 288. 289. 290. 291. 292. 293. 294. 295. 296. 297. 298. 299. 300. 301. 302. 303. 304. 305. 306. 307. 308. 309. 310. 311. 312.

GENLANG GenMAPP GenomeBrowser GenoPedigree Genotyper Genowhiz GenSearch Geomview GERM getpdb GIFA Glide GLIMMER GMMX gNMR GoCore GOLD gOpenMol GRADSCF Grail GrailEXP6 GRID GROMACS GROMOS HADDOCK - Docking using NMR data HASL HaveItAll NMR Hingefind HINT hmo10 Homology HONDO Hckel Calculator HyperChem HyperNMR ICON8 and FORTICON8 Iditis IDT's Biotools Impact IMSL Libraries Insight Insight II/Biopolymer InsightT

Biopolymer DelPhi Modeler

Insight II/CADD

Affinity Converter DBAccess Ludi Ludi/ACD

INTERCHEM IRIS Explorer IRMA

313. 314. 315. 316.

IR Mentor Pro ISIS (Integrated Scientific Information System) ISYS ItemTracker

--- J, K, L --317. 318. 319. 320. 321. 322. 323. 324. 325. 326. 327. 328. 329. 330. 331. 332. 333. 334. 335. 336. 337. 338. 339. 340. 341. 342. 343.
Jaguar JAligner JAVA-Based Molecular Editor JChem JSpecView KEGG KGNMOL KnowItAll KoriBlast LABMaestro LabManager C/S LIMS LabSoft LIMS LabView LABWORKS LAMMPS Lasergene Latticepatch LeoAnalyst LeoCalculator LeoCrystal LHASA (Logic and Heuristics Applied to Synthetic Analysis) Liaison LimsLink LION Target Engine LiqCryst Look Ludi

--- M, N, O --344. 345. 346. 347. 348. 349. 350. 351. 352. 353. 354. 355. 356. 357. 358. 359. 360. 361. 362. 363. 364.
MACCS-II (Molecular ACCess System) MacFormula MacImdad MacroModel MacSPARTAN MacVector Marvin Applets Marvin Mathcad Mathematica MCSS/Hook MD-Display MDScope Merlin MESSKit MestRe-C MetaCore Meteor MF Calc Midas Plus MINITAB

365. 366. 367. 368. 369. 370. 371. 372. 373. 374. 375. 376. 377. 378. 379. 380. 381. 382. 383. 384. 385. 386. 387. 388. 389. 390. 391. 392. 393. 394. 395. 396. 397. 398. 399. 400. 401. 402. 403. 404. 405. 406. 407. 408. 409. 410. 411. 412. 413. 414. 415. 416. 417. 418. 419. 420.

MM2 and MM3 mmCIF MODELLER MOIL-View Mol2Mol MOLCAS MolDraw MOLDY MOLDYN Molecular Images Molecular Modeling Pro Molecular Modeling Toolkit MOE (Molecular Operating Environment) Molecular Surface Package Molecules-3D MOLGEN MOLPRO MOLSCAT MOMEC MOPAC MOPAC 2000 MORASS MORATE MORGAN MOTECC MPA/MPG MPSRCH MS MSEQ Mulliken MULTAN88 Multifactor Dimensionality Reduction (MDR) MultiSimplex MZEF NAB namd NAMOT NAOMI nbp Nemesis NeoBio Net Primer NEWHELIX NMRchitect NMR*Compass NMR*Pipe NMR Refine NMR SpecManager NMR Structure Determination NOESYSIM O OMIGA Onto-Express Open Molecule ORBVis Origin

421.

ORTEP

--- P, Q, R --422. 423. 424. 425. 426. 427. 428. 429. 430. 431. 432. 433. 434. 435. 436. 437. 438. 439. 440. 441. 442. 443. 444. 445. 446. 447. 448. 449. 450. 451. 452. 453. 454. 455. 456. 457. 458. 459. 460. 461. 462. 463. 464. 465. 466. 467. 468. 469. 470. 471. 472. 473. 474.
PackMol PADRE PALLAS PAP PathArt PathwayStudio (Formerly PathwayAssist) Pathways Analysis Pathway Tools PatternHunter PCModel PCPDFWIN PCSIWIN PC Spartan PDM93 PDM97 PeakPro C/S PEAKS PepSeq Peptool Pestode Perch PhyloPat pKa Predictor Plasmid PlotData pmd Polar POLYRATE PoPMuSiC PowderCell PowerChrom PPNN PractiCalc PRECLAV PrestoPlot Primer Express PRIMER PREMIER 5 ProCheck ProChemist PROCRUSTES Prode Calculator Profiles-3D Project Leader Project Library Prospect Pro Protein Advisor Protein Networker ProteinSolve ProWorks PS PS-GVB PSI-88 Q-Chem

475. 476. 477. 478. 479. 480. 481. 482. 483. 484. 485. 486. 487. 488. 489. 490. 491. 492. 493. 494. 495. 496. 497. 498. 499. 500. 501. 502. 503.

Qik Prop QMol QSite QUANTA QUANTA/Biopolymer Quac Pac

Modeler Protein Design Protein Health

QuanteMM Quest QuickPDB Raptor RAsMol RASSE RASTER3D RDP REACCS (Reaction ACCess System) React Reaction Patterns Relibase ResNet Renex Re_View RGBG Analyzer Ribbons The Rosetta Resolver System RPAC RS3 Discovery

--- S, T, U --504. 505. 506. 507. 508. 509. 510. 511. 512. 513. 514. 515. 516. 517. 518. 519. 520. 521. 522. 523. 524. 525. 526. 527. 528.
SAm Sample Master SAMPLS Santorini SARvision SCARECROW SciAn SciMetrics SciPredict MDL SCREEN Sculpt SEA SEAL SECS (Simulation and Evaluation of Chemical Synthesis) Selectivity SEQtools Sequence Navigator Sequence Software for Mass Spec SeqVerter SGD SgInfo Shake-and-Bake SIBFA SIgMA The Sigma Suite

529. 530. 531. 532. 533. 534. 535. 536. 537. 538. 539. 540. 541. 542. 543. 544. 545. 546. 547. 548. 549. 550. 551. 552. 553. 554. 555. 556. 557. 558. 559. 560. 561. 562. 563. 564. 565. 566. 567. 568. 569. 570. 571. 572. 573. 574. 575. 576. 577. 578. 579. 580. 581. 582. 583.

The SigmaXL SIGNALSCAN SILAB LIMS System SimGlycan SimVector SingleCrystal SIR92 SIRPOW92 SMILES Toolkit SMOG: The Structural MOlecular Generation SolMis (Solubility/Miscibility) Solltech SOPMA SPARTAN SpectraHeap Sprout SQL*LIMS SRS SSBM Starfruit Stat-Ease STATISTICA StatView STEM (The Short Time-series Expression Miner) STRAP STRUVIR SwaN-MR SYBYL SYBYL/3DB UNITY SYSTAT SymbMath SYNLIB (SYNthesis LIBrary) Target TESS Testream Thor TINKER Titan TOPKAT TOPOS Atomistix Toolkit (Formerly Transiesta) TRIAD (TRIcyclics for Automated Design) Tsar TurboBlast Turbochrom Client/Server Turbomole 3D-PSSM UCSD MMS UniChem UNIMOL UGENE UniPro DPview USURFA UVSS Virtual Screening Tool UXNMR

--- V, W --584. 585. 586. 587. 588. 589. 590. 591. 592. 593. 594. 595. 596. 597. 598. 599. 600. 601. 602. 603. 604. 605. 606. 607. 608.
Vamp VCharge Vconf VampVcharge Vector Xpression Vector NTI VEGA Vfilter VIBE Viewmol Visual Cloning 2000 Visual LabPro Visualize VisualMath for Java VlifeMDS [Molecular Design Suite] VMD VOID VoxBlast Vrms WellAware WHAT IF WinLIMS WINMGM WinPDB The Wisconsin Package

--- X, Y, Z --609. 610. 611. 612. 613. 614. 615. 616. 617. 618. 619.
X-LIGAND X-AUTOFIT X-BUILD X-PLOR X-Solvate Xtal Xtaldraw XtalView Yak ZINDO ZMM-MVM

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