Worldwide ZINC

We want to foster a community of sites around the world that use our software. We would like to loosely affiliate these sites so that resources can be pooled, and improvements made at one site can be easily propagated to other sites. For this, we have started using git and github as a revision control and software distribution platform.

Sites / Clusters

• Cluster 0 @ UCSF
• Cluster 1 @ UofT
• Cluster 2 @ UCSF
• possible clusters to follow in China, Brazil, Germany...

How the interactions work

Coordination, affiliation and federation of nodes on the worldwide ZINC network are optional, and can operate at several levels

Make public cycles available

Each member of the worldwide ZINC network is asked to make a public DOCK Blaster server available, and to allow public jobs to be run. We request 5% or 50 cores, whichever is lower, at least be made available for public use.

Forked development code branches

We encourage members of the worldwide ZINC network to participate in code and script development. To do this, get started with github and fork a branch. Changes made at your site should be commited to your branch for potential re-integration into the germ-line version of the code.

Integration of DOCK Blaster job queues

When submitting a docking job to a node on the worldwide ZINC network, the user may select a different cluster in order to get the job processed faster.

Integration of ZINC number

If you choose to host a mirror site of ZINC, we ask that you participate in the incremental updates of ZINC, and use a common numbering scheme. If you would like to participate at this level, please write us. At this time, this level of integration is wholly theoretical, but we are keen to see it progress.