"babel -a..." Command - Extra Input Reading Options

Q

How to pass extra options for "babel" to read input data of a specific format?

✍: FYIcenter.com

A

If you want to pass extra options for "babel" to read input data of a specific format, you need to use one or more "-a..." options in the "babel" command line as shown in the following syntax:

babel input_section output_section [-aX...] [-aY...] ...

# "X..." and "Y..." are extra options for reading intput data. 

For example, when "babel" is reading input data in "sdf" format, it supports an option called "T", which tells "babel" to read only the "title" part of each molecule. To specify this "T" option for reading data, you can enter it as "-aT" in the command line as shown below:

fyicenter$ babel molecule.sdf -o sdf -aT

20009
 OpenBabel05202015543D

  0  0  0  0  0  0  0  0  0  0999 V2000
M  END
$$$$
1 molecule converted
1 info messages 8 audit log messages 

As you can see, the "-aT" option worked properly.

 

"babel -x..." Command - Extra Output Writing Options

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⇑⇑ Open Babel Tutorials

2020-07-15, 137👍, 0💬