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  2. Chemical table file - Wikipedia

    en.wikipedia.org/wiki/Chemical_table_file

    Chemical table file (CT file) is a family of text-based chemical file formats that describe molecules and chemical reactions. One format, for example, lists each atom in a molecule, the x-y-z coordinates of that atom, and the bonds among the atoms.

  3. Chemical file format - Wikipedia

    en.wikipedia.org/wiki/Chemical_file_format

    The wwPDB maintained the specifications of the PDB file format and its XML alternative, PDBML. There was a fairly major change in PDB format specification (to version 3.0) in August 2007, and a remediation of many file problems in the existing database. [3] The typical file extension for a PDB file was .pdb, although some older files used .ent ...

  4. Jmol - Wikipedia

    en.wikipedia.org/wiki/Jmol

    The name originated from ava (the programming language) + [mol]ecules, and also the mol file format. JSmol is an implementation in JavaScript of the functionality of Jmol. [ 4 ] It can hence be embedded in web pages to display interactive 3D models of molecules and other structures without the need for any software apart from the web browser ...

  5. Mole (unit) - Wikipedia

    en.wikipedia.org/wiki/Mole_(unit)

    One lb-mol is equal to 453.592 37 g‑mol, [6] which is the same numerical value as the number of grams in an international avoirdupois pound. Greenhouse and growth chamber lighting for plants is sometimes expressed in micromoles per square metre per second, where 1 mol photons ≈ 6.02 × 10 23 photons. [ 7 ]

  6. PDF - Wikipedia

    en.wikipedia.org/wiki/PDF

    Interactive Forms is a mechanism to add forms to the PDF file format. PDF currently supports two different methods for integrating data and PDF forms. Both formats today coexist in the PDF specification: [38] [53] [54] [55] AcroForms (also known as Acrobat forms), introduced in the PDF 1.2 format specification and included in all later PDF ...

  7. Comparison of software for molecular mechanics modeling

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

    Main application of ms2 is on fluids. Free open source: ms-2.de: OpenMM: No No Yes Yes Yes Yes No Yes Yes High Performance MD, highly flexible, Python scriptable Free open source MIT: OpenMM: Orac: No No Yes Yes No Yes No Yes No Molecular dynamics simulation program to explore free energy surfaces in biomolecular systems at the atomic level ...

  8. Molecular Operating Environment - Wikipedia

    en.wikipedia.org/wiki/Molecular_Operating...

    The Molecular Operating Environment was developed by the Chemical Computing Group under the supervision of President/CEO Paul Labute. [3] Founded in 1994 [4] and based in Montreal, Quebec, Canada, this private company is dedicated to developing computation software that will challenge, revolutionize, and aid in the scientific methodology.

  9. PDF/A - Wikipedia

    en.wikipedia.org/wiki/PDF/A

    PDF is a standard for encoding documents in an "as printed" form that is portable between systems. However, the suitability of a PDF file for archival preservation depends on options chosen when the PDF is created: most notably, whether to embed the necessary fonts for rendering the document; whether to use encryption; and whether to preserve additional information from the original document ...

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