listclusters read cluster (CL) and fingerprint (FP) dataitems in a Thor datatree (e.g. those written by jarpat).
summaries and tables suitable for textual display or printing.
cluster data in a way suitable for processing by other programs. Both programs are able to sort structures by
cluster and compute the
•Cluster results to be passed on to any other program
should be processed by listclusters first.
Aside from computing intra-cluster statistics and removing temporary data items, listclusters sorts
and renumbers the clusters in a
more useful, less arbitrary manner than is done by jarpat. By default, listclusters
writes its output in Thor datatree
format, but SMILES formatted
output can be also be generated.The
latter is more useful for DayCart™users.
does exactly the same sorts and
as listclusters, it offers a number of summary displays and output formatting options specific to textual
presentation. showclusters' output
uses only printable ASCII (and newline) and is suitable for use in virtually any environment.