NMRPredict Help

		Help overview
		Running a Prediction
		Inspecting Prediction Results
		C13 NMR Prediction in Detail
		Proton NMR Prediction in Detail

Selecting Paths

This screen is found under "Predict" "Options" "Path Options".

Three paths can be set:

• RasMol Path – this tells NMRPredict where to launch Rasmol from so that 3D structures can be seen for each conformer after a proton prediction. The first time you run NMRPredict the program searches the harddisk for Rasmol and adds it to the path automatically
• NMR Data Path - this determines where you will save your temporary files such as structures, predictions and conformers
• Port – this specifies the port on the server which is being attached to by the NMRPredict client