Welcome to RMapViewer wiki

Installation

common prerequisite

Please confirm that your system has Open Babel installation.

  1. Please download the latest .zip file from latest release.

  2. Please double-click the .zip file to extract the RMapViewer application and a data folder.

  3. Security setting might prevent 3rd-party applications from launching. Please change the security level at your own risk.

for Windows

  1. Please download the latest .zip file from latest release.

  2. Please extract the .zip and place the RMapViewer- directory in a non-network drive.

  3. Double click the Pharo.exe file in the RMapViewer- directory to launch RMapViewer.

How to use

  1. Resource

    Rmap files (reaction maps of isomers) can be downloaded from the resources repository.

  2. Components of RMapViewer

GUI components

By dropping an .rmap file on the window, the reaction map view shows the map.

  1. Zoom in/out, moving view.

When the reaction map view has the focus, down-arrow key will magnify the map and up-arrow key will pan it out. You can also use scroll wheel to zoom in/out the map. Dragging a mouse on the reaction map view will shift the visible scope of the map, which is indicated as a red rectangle in the global map view. The red rectangle is also draggable.

  1. Select reactants and products

Select reactants and products

  1. Search reaction paths and select one to see energy tree and 3D animation

Search reaction paths and select

  1. See details of an isomer

See details of an isomer

  1. Energy range

Energy range

  1. Assign metrics to x axis

Assign metrics to x axis

  1. Assign metrics to y axis

Assign metrics to y axis

  1. Assign metrics to z axis

Assign metrics to z axis

  1. 3D to 2D projections

3D to 2D projection

  1. Node renderings

Node renderings