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2. XDrawChem - Wikipedia

   en.wikipedia.org/wiki/XDrawChem

   XDrawChem is a free software program for drawing chemical structural formulas, available for Unix and macOS. It is distributed under the GNU GPL . In Microsoft Windows this program is called WinDrawChem.

3. List of computer-assisted organic synthesis software - Wikipedia

   en.wikipedia.org/wiki/List_of_computer-assisted...

   Computer-assisted organic synthesis software is a type of application software used in organic chemistry in tandem with computational chemistry to help facilitate the tasks of designing, predicting, and producing chemical reactions. CAOS aims to identify a series of chemical reactions which, from a starting compound, can produce a desired molecule.

4. Comparison of software for molecular mechanics modeling

   en.wikipedia.org/wiki/Comparison_of_software_for...

   Proprietary, free academic use, source code Beckman Institute: NWChem: No No Yes Yes No No Yes No No High-performance computational chemistry software, includes quantum mechanics, molecular dynamics and combined QM-MM methods Free open source, Educational Community License version 2.0 NWChem: Protein Local Optimization Program: No Yes Yes Yes ...

5. Open Babel - Wikipedia

   en.wikipedia.org/wiki/Open_Babel

   Open Babel is a free chemical informatics software designed to facilitate the conversion of Chemical file formats and manage molecular data. [3] It serves as a chemical expert system, widely used in fields such as cheminformatics, molecular modelling, and computational chemistry. Open Babel provides both a comprehensive library and command-line ...

6. List of molecular graphics systems - Wikipedia

   en.wikipedia.org/wiki/List_of_molecular_graphics...

   Free open-source: C [9] Jmol: Free open-source: Java (applet or standalone program) Transpiled HTML5/JavaScript for browser [10] [self-published source?] Supports advanced capabilities such as loading multiple molecules with independent movement, surfaces and molecular orbitals, cavity visualization, crystal symmetry MDL Chime: Proprietary ...

7. Molecule editor - Wikipedia

   en.wikipedia.org/wiki/Molecule_editor

   A notable molecule editor is a computer program for creating and modifying representations of chemical structures.. Molecule editors can manipulate chemical structure representations in either a simulated two-dimensional space or three-dimensional space, via 2D computer graphics or 3D computer graphics, respectively.

8. Avogadro (software) - Wikipedia

   en.wikipedia.org/wiki/Avogadro_(software)

   Plugin architecture for developers, including rendering, interactive tools, commands, and Python scripts. OpenBabel import of files, input generation for multiple computational chemistry packages, X-ray crystallography, and biomolecules.

9. Spartan (chemistry software) - Wikipedia

   en.wikipedia.org/wiki/Spartan_(chemistry_software)

   Spartan is a molecular modelling and computational chemistry application from Wavefunction. [2] It contains code for molecular mechanics, semi-empirical methods, ab initio models, [3] density functional models, [4] post-Hartree–Fock models, [5] thermochemical recipes including G3(MP2) [6] and T1.