Match Clusters

NvAssign

The match clusters step has had significant additions to its functionality. The original match clusters script that is included with NMRView remains available. In addition to this algorithm NMRView now has the capability to interface with two other software modules that are able to place clusters in a sequence with advanced algorithms. In order to interface with them, the cluster and peak data must be organized, to do this, press the ‘save cluster data’ button. Both of the buttons ‘Export to PACES’ and ‘Export to MONTE’ will bring up a dialog box to select a file name (it can be an existing one). The button then creates a text file in the format readable by either PACES or MONTE. Before exporting data to a MONTE file first begin running MONTE inside NMRView, as described in MONTE How-to, and then set the desired order in the Chemical Shift Identification Table. When exporting to MONTE choose the directory that contains the par file that will be used because the sequence file will also be created. NOTE: When exporting to MONTE you must have the sequence file read in and the assign-sequence window open in order to save the sequence.