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NAME - Generate SD files from CSV or TSV TextFile(s)

SYNOPSIS TextFile(s)... [-h, --help] [--indelim comma | semicolon] [-l, --label yes | no] [-o, --overwrite] [-r, --root rootname] [-w, --workingdir dirname] TextFile(s)...


Generate SD files from CSV or TSV TextFile(s). The new SD files contain no structure data as indicated by empty structure data block; Data fields and values in SD files are generated using TextFile(s) column labels and corresponding data values.

Multiple TextFile(s) names are separated by space. The valid file extensions are .csv and .tsv for comma/semicolon and tab delimited text files respectively. All other file names are ignored. All the text files in a current directory can be specified by *.csv, *.tsv, or the current directory name. The --indelim option determines the format of TextFile(s). Any file which doesn't correspond to the format indicated by --indelim option is ignored.


-h, --help

Print this help message.

--indelim comma | semicolon

Input delimiter for CSV TextFile(s). Possible values: comma or semicolon. Default value: comma. For TSV files, this option is ignored and tab is used as a delimiter.

-l, --label yes | no

First line contains column labels. Possible values: yes or no. Default value: yes. Column labels are used to create SD data field labels; otherwise, data field labels look like Column<colnumber>Data.

-o, --overwrite

Overwrite existing files.

-r, --root rootname

New SD file names are generated using the root: <Root>.sdf. Default new file names: <TextFileName>WithNoStrData.sdf. This option is ignored for multiple input files.

-w, --workingdir dirname

Location of working directory. Default: current directory.


To generate NewSample1.sdf file from Sample1.csv file, type:

% -o -r NewSample1 Sample1.csv

To generate NewSample1.sdf file from Sample1.tsv file which doesn't contain column labels line, type:

% --label no -o -r NewSample1 Sample1.tsv


Manish Sud



Copyright (C) 2024 Manish Sud. All rights reserved.

This file is part of MayaChemTools.

MayaChemTools is free software; you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version.



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