Checkmol for Linux Checkmol is a command-line utility program which reads molecular structure files
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Checkmol for Linux Description

Checkmol is a command-line utility program which reads molecular structure files in different formats (see below) and analyzes the input molecule for the presence of various functional groups and structural elements. At present, approx. 200 different functional groups are recognized. Output can be either clear text (English or German), a bitstring or its ASCII representation, or a set of special 8-character codes. This output can be easily placed into a database table, permitting the creation of chemical databases with a functional group search option. Features Starting with version 0.4, checkmol supports the generation of hash-based Fingerprints for efficient pre-selection in structure databases. The Default values are as follows: only linear fragments, minimum fragment length: 3 atoms, maximum fragment length: 8 atoms, 2 bits per fragment, total bitstring length: 512 bits.

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