MMTSB Ensembles


Checking in an ensemble of structures

checkin.pl is the tool for constructing and adding structures into an ensemble.You need to specify a place for the ensemble to reside, it is a directory with a tree of subdirs that mmtsb will construct. Make a place for your ensemble:

Now check in your structures with a name (tag). It is not necessary for the tag to have the same name as the directory, but we will use the same name so we remember what the tag name is.

You will now have a bunch of directories in a tree which at the bottom of each branch will be one member of the ensemble. It is not necessary for you to know what is in that tree nor understand it at all, except to know that the coontents of the ensemble is all the structures you checked in.


Getting information from the ensemble

ensrun.pl [-dir ] runs any command on each member of the cluster.




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