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A chemical file format is a type of data file which is used specifically for depicting molecular data. One of the most widely used is the chemical table file format, which is similar to Structure Data Format files. They are text files that represent multiple chemical structure records and associated data fields.
APBS (previously also Advanced Poisson-Boltzmann Solver) is a free and open-source software for solving the equations of continuum electrostatics intended primarily for the large biomolecular systems. [1] [2] It is available under the BSD license. PDB2PQR prepares the protein structure files from Protein Data Bank for use with APBS.
Download QR code; Print/export ... Pages in category "Chemical file formats" ... Text is available under the Creative Commons Attribution-ShareAlike 4.0 License; ...
Download QR code; Print/export ... NWChem is an ab initio computational chemistry software package which includes quantum chemical ... Text is available under the ...
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 ...
Download QR code; Print/export ... Molecular design software; List of quantum chemistry and solid state physics software ... Text is available under the Creative ...
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.
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