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