Summary

NMRView has been integrated into the Molecular Data Viewer MDV as a client with some extra functionality added. To start the MDV server from within NMRView, select the MDV start pullright menu (Analysis) from the control panel window. The server graphics window will appear and a message will be sent to the console indicating that NMRView has connected with the server. All access with MDV is through port number 12345.

At this point, NMRView commands (command window) may be entered to send a new molecule to MDV. A typical set of commands would be the following:

read -seq mtx
gencoord
atomset -d b
create -mol a

All of the mouse based user interface functionality is now available to manipulate molecules within MDV.

To stop MDV, select the exit menu item from the analysis menu on the NMRView control panal. The server may be restarted at any time by repeating the above steps.

Remote execution of MDV is available only on SGI workstations. Select the start-remote menu item instead. Use the preferences dialog to set the desired remote host, user name and remote password.


NMRView Commands

The general MDV commands described in the previous document may be directly entered from the NMRView command line. Prefix all commands with the string mdv. Prefix all MDV command names with a -. For example,

labels
mdv -labels mol: on

display
mdv -display mol: cylinder


Additional Functionality

The NMRView-MDV system also supports asynchronous communications. This allows MDV to send information back to NMRView for processing. Currently, the following is supported:

atom picks
When an atom is picked within MDV, the full atom MRA string is sent back to NMRView for processing. This functionality may be turned on or off by issuing the command mdv -pick on|off . The default is on.

atom selections
When the right mouse button is hit in the MDV display area, the last menu item contains commands to be executed and the results sent back to NMRView. The selected item sends back to NMRView a list of all currently selected atoms as a single character string.