A software program that reads and analyzes molecular structures using the command-line interface.
Checkmol is an open source command-line utility that provides a comprehensive solution for reading molecular structure files in various formats and examining the input molecule for the presence of structural elements and functional groups. The software currently detects up to 200 different functional groups. The output can be produced in the form of either clear text in English or German, bitstring or its ASCII representation, or a set of unique 8-character codes.
Checkmol's output can be readily placed into a database table, thus enabling the development of chemical databases that can be conveniently searched by functional groups. As a result, the search functionality for functional groups is simplified, and the time required to find the required data is significantly reduced.
The installation of Checkmol is simple and straightforward. The installation instructions for the software include running "fpc checkmol.pas -S2 -O3 -Op3," copying "checkmol /usr/local/bin," navigating to "/usr/local/bin," and setting up a symlink between checkmol and matchmol using "ln checkmol matchmol."
In conclusion, Checkmol is a reliable and feature-rich software that provides a comprehensive solution for reading molecular structure files and conducting accurate analyses for the presence of various functional groups and structural elements. Its ease of installation, extensive functionality, and compatibility with various input formats make it a valuable addition to any chemical database.
Checkmol's output can be readily placed into a database table, thus enabling the development of chemical databases that can be conveniently searched by functional groups. As a result, the search functionality for functional groups is simplified, and the time required to find the required data is significantly reduced.
The installation of Checkmol is simple and straightforward. The installation instructions for the software include running "fpc checkmol.pas -S2 -O3 -Op3," copying "checkmol /usr/local/bin," navigating to "/usr/local/bin," and setting up a symlink between checkmol and matchmol using "ln checkmol matchmol."
In conclusion, Checkmol is a reliable and feature-rich software that provides a comprehensive solution for reading molecular structure files and conducting accurate analyses for the presence of various functional groups and structural elements. Its ease of installation, extensive functionality, and compatibility with various input formats make it a valuable addition to any chemical database.
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