openmolecules.org

 
Home » DataWarrior » Functionality » Opening SDF file with Datawarrior from command line
Re: Opening SDF file with Datawarrior from command line [message #577 is a reply to message #418] Thu, 20 June 2019 12:46 Go to previous message
nbehrnd is currently offline  nbehrnd
Messages: 224
Registered: June 2019
Senior Member
Facing a similar situation to call DataWarrior either from the terminal
of Linux, or within a Python script within a loop, I created an alias
for the bash.

There are at least two options to provide the necessary information to
the operating system. Either a) create / edit file '.bashrc' in your
home directory which typically includes many more instructions how bash
shall work. If however this file contains a block

if [ -f ~/.bash_aliases ]; then
    . ~/.bash_aliases
fi

then you may b) create and edit file '.bash_aliases' in your home directory
which then is only about these user-defined shorthands. In either case,
add

alias datawarrior="/opt/datawarrior/datawarrior"


as new instruction. Omit the "%F" you may see in the program launcher.
More importantly though, do not use spaces prior, nor after the equal
sign. Save the edit and restart the terminal. Now all you have to enter
is 'datawarrior' as keyword. This is working fine on an installation of
Xubuntu LTS 18.04.2.

[Updated on: Thu, 20 June 2019 12:50]

Report message to a moderator

 
Read Message
Read Message
Read Message
Read Message
Read Message
Previous Topic: Datawarrior Protonates the Oxygen in a Phosphorous Oxygen Double Bond.
Next Topic: network file export (cytoscape)
Goto Forum:
  


Current Time: Fri Nov 22 16:15:57 CET 2024

Total time taken to generate the page: 0.04132 seconds