3.1 Command Line Interface

A description of the command line interface can be obtained by executing mol2nam with no arguments.

prompt> mol2nam

will generate the following output:

mol2nam v1.0  Structure to Name Conversion
OpenEye Scientific Software, November 2003

usage:  nam2mol <infile> [<outfile>]

The mol2nam program currently accepts no options, and takes one or two filenames of the command line. The first file on the command line is assumed to be the input molecule file in any of a number of popular connection table formats. If no output file is specified, the program writes a name per line, for each connection table in the input file to standard output, stdout. If a second filename is specified, it treated as the output molecule files, and each of the input molecules is written to it, with the title of each record set to the assigned name.

A minus character may be used in place of the input filename to specify that the input is to be read from standard input, stdin, and in place of the output filename to specify that the output is to be written to standard output, stdout.