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Writing MDL Molfiles, CML, ChemDraw XML text format Integration with OpenBabel , allowing XDrawChem to read and write over 20 different chemical file formats . Image export in Portable Network Graphics (PNG), Windows bitmap, Encapsulated PostScript (EPS), and Scalable Vector Graphics (SVG)
Save as: TIFF black/white bitmap with a resolution of 720 dpi (small molecules) to 240 dpi (large molecules) (in ChemDraw under the Options button in the Save as TIFF dialog). ChemDraw / ChemBioDraw 11 (2007) cannot save black and white TIFF images. Therefore, save as a 1200 dpi greyscale TIFF image and decrease the color depth to 2 bit (black ...
ACD/ChemSketch allows for both basic structure drawing and importation of 3D and 2D .MDL files from other molecular modelling programs. ChemSketch has been favorably compared to other molecular modelling software, especially ChemDraw, based on its ability to display a wide range of structural components and the ease of creating complex structures quickly.
Graphics, model building, molecular mechanics, quantum chemistry. Avizo: EM MM MRI Optical SMI XRD: Proprietary [5] Windows, Linux, Mac [6] [self-published source?] Avizo is derived from Amira and focusing on materials science. Avogadro: MM XRD MD: Free open-source, GPL C++, Qt, extensible via Python modules BALL: Molecular dynamics MM NMR ...
IOData is a free and open-source Python library for parsing, storing, and converting various file formats commonly used by quantum chemistry, molecular dynamics, and plane-wave density-functional-theory software programs. It also supports a flexible framework for generating input files for various software packages.
ChemDraw is a molecule editor first developed in 1985 by Selena "Sally" Evans, her husband David A. Evans, and Stewart Rubenstein [1] [2] (later by the cheminformatics company CambridgeSoft). The company was sold to PerkinElmer in 2011. [ 3 ]
MDL introduced specifications for chemical file formats, including the molfile (.mol), and structure/data file (.sdf) which were subsequently placed in the public domain and have become standards for representing structures in 2-D drawings and for transferring such information with associated data, for example identifiers, chemical names and substance properties.
Chemistry portal; Free and open-source software portal; Molsketch is a molecule editor for 2D computer graphics published as free software. [1] It is written in C++ with the Qt toolkit for Microsoft Windows and Linux. [2]