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Can automatically draw rings and other structures - has all standard amino acids and nucleic acids in a built-in library; Retrieval of structures from a network database based on CAS number, formula, or name; Retrieval of information on a molecule based on a drawing; Symbols such as partial charge and radicals
ChemWindow is a chemical structure drawing molecule editor and publishing program now published by John Wiley & Sons as of 2020, [1] originally developed by Bio-Rad Laboratories, Inc. [2] [3] It was first developed by SoftShell International in the 1990s. [4]
Draw the structure in your molecule editor, and save it as a Windows Metafile (.wmf), Enhanced Metafile (.emf), or Encapsulated Postscript (.eps). Open the saved file in Inkscape. Resize the picture about 400%, then click to File→Document Properties→Fit page to selection. Select the molecule and click Path→Object to path.
Chemical structure to name conversion; Chemical name to structure conversion; NMR spectrum simulation (1 H and 13 C) Mass spectrum simulation; Structure cleanup; Draw ligand Structure; An extensive collection of templates, including style templates for most major chemical journals. Export to SVG; Export to PDF (Mac Version only)
Printing system can render any document to a PDF file, thus any Linux program with print capability can produce PDF files Pdftk: GPLv2: No Yes Yes Command-line tools to merge, split, en-/decrypt, watermark/stamp and manipulate PDF document files. Front end to an older version of the iText library. poppler: GNU GPL: Yes Yes
For example, molecules can be displayed as ball-and-stick models, space-filling models, ribbon diagrams, etc. [4] Jmol supports a wide range of chemical file formats, including Protein Data Bank (pdb), Crystallographic Information File (cif), MDL Molfile (mol), and Chemical Markup Language (CML).
SDF is one of a family of chemical-data file formats developed by MDL; it is intended especially for structural information. "SDF" stands for structure-data format, and SDF files actually wrap the molfile (MDL Molfile) format. Multiple records are delimited by lines consisting of four dollar signs ($$$$). A key feature of this format is its ...
The Simplified Molecular Input Line Entry System (SMILES) is a specification in the form of a line notation for describing the structure of chemical species using short ASCII strings. SMILES strings can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the molecules.
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