ChimeraX

A Batch Connect app designed for OSC OnDemand that launches ChimeraX within an Owens batch job.

Prerequisites

This Batch Connect app requires the following software be installed on the compute nodes that the batch job is intended to run on (NOT the OnDemand node):

• ChimeraX 1.1+
• Xfce Desktop 4+

For VNC server support:

• TurboVNC 2.1+
• websockify 0.8.0+

For hardware rendering support:

• X server
• VirtualGL 2.3+

Optional software:

• Lmod 6.0.1+ or any other module purge and module load based CLI used to load appropriate environments within the batch job

Installing ChimeraX On Owens

To install ChimeraX simply go to ChimeraX - Generic Linux 64-bit and accept the license agreement. Once the tar file is unzipped, the binary will be located in chimerax/bin/ChimeraX.

Install

Use git to clone this app and checkout the desired branch/version you want to use:

scl enable git19 -- git clone 
cd 
scl enable git19 -- git checkout 

You will not need to do anything beyond this as all necessary assets are installed. You will also not need to restart this app as it isn't a Passenger app.

To update the app you would:

cd 
scl enable git19 -- git fetch
scl enable git19 -- git checkout 

Again, you do not need to restart the app as it isn't a Passenger app.

Contributing

1. Fork it ( https://github.com/OSC/bc_osc_chimerax/fork )
2. Create your feature branch (git checkout -b my-new-feature)
3. Commit your changes (git commit -am 'Add some feature')
4. Push to the branch (git push origin my-new-feature)
5. Create a new Pull Request

License

• Documentation, website content, and logo is licensed under CC-BY-4.0
• Code is licensed under MIT (see LICENSE.txt)o
• ChimeraX and its logo are intellectual properties owned by the UCSF, and all rights, title and interest, including copyright, remain with the University.