How to make RasMol work on Mac OS

Due to some unhappy events I had to switch to a MacBook recently. This lead to a very interesting adventure in the new world of Mac OS.

The main goal was to have RasMol and rasscripts set up in a way that will open the DomChop .rasscript file with one click.

Installing RasMol itself required some knowledge of command line, however since Mac OS is Unix-based it was not too hard.

First I had to download the RasWin binaries from the official website.


Then I untared the files using this in command line (change directory to the place where the file was downloaded to first):

tar xvf RasMol_2_7_5_i386_OSX_21Jul09.tar.gz

which creates a new directory you have to change to:

cd RasMol_2_7_5_i386_OSX_21Jul09

and then recompile files using this command in the command line:

./rasmol_install.sh --prefix=/usr/local

then confirming the process twice.

However now I had to figure out how to make rasmol open rasscripts the way I want them. For this, after many unsuccessful tries I managed to use the Automator app. It comes with Mac OS and allows to transform scripts into applications (.app extension). The app i created (scriptopener.app) runs this shell script, with the file it was used on as an argument:

for f in "$@"for f in "$@"
do
   source /etc/profile 
   echo "$f" 
   rasmol -script "$f"
done

Then allowing me to assign this application as a default app for .rasscript extension.

At this point I could open the .rasscript files with this app, to show me the chopping from CATH, however I still had to manually select the default app for the extension each time. To solve this issue I had to change the info.plist file in the scriptopener.app to include this:

<dict>
        <key>CFBundleTypeExtensions</key>
        <array>
            <string>rasscript</string>
        </array>
        <key>CFBundleTypeIconFile</key>
        <string>Rasscript-script</string>
        <key>CFBundleTypeName</key>
        <string>Rasscript</string>
        <key>CFBundleTypeRole</key>
        <string>Document</string>
    </dict>

with the line in bold being the important one, adding the .rasscript extension to the list of extensions it can open.

Now I can open rasmol scripts generated by CATH with one click, essentially allowing me to do the DomChopping on Mac OS.

 

Special thanks to Feng for helping me out with this.

 

 

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