Importing / Exporting Data

Importing Data

EasyHybrid/pDynamo supports major coordinate file formats used in computational chemistry and structural biology.it is quite common that once you have loaded a system of interest into EasyHybrid, you want to assign new coordinates (or sets of coordinates). The window for importing data from external coordinates is accessed by clicking with the mouse button 2 on the system of interest in the treeview of the main window and selecting the item 'Import Data' (Figure 1).

A new window will appear with several options. You can assign the new coordinates to an existing object (a possibility to concatenate trajectories) or create a new viewable object. Figure 2 shows the window for importing external coordinates data and the format options. If the user chooses to open a trajectory generated by pDynamo/EasyHybrid (see standard pDynamo3 trajectory format) and if a log file is present in the folder where the coordinate files are stored, EasyHybrid will already load the log file with the coordinates.

Exporting Data

The procedure to export data from EasyHybrid is similar to the one mentioned above. The data export window is accessed by clicking with the mouse button 2 on the system of interest in the treeview of the main window and selecting the item 'Export As...'. As shown in Figure 3.

Whenever some information is exported by EasyHybrid, the user must establish which system of interest it belongs to, and also which reference coordinate must be considered.