Load molecules

Structure files are the input files for dProperties and cannot be generated in dProperties. They can be selected and loaded by clicking 'Load molecules' in the 'File' menu or the shortcut icon_load in the tool bar. To load the input files, simply select them in the dialog window that will appear.


The user can select several structure files at the same time or can add structure files one at a time.


Once a structure file has been loaded, all the molecules contained in it will be displayed in the molecule list in the same order they are in the structure file. If more than one file are selected, then all the molecules contained in subsequent loaded files will be displayed at the end of the list.


dProperties can process most of the common organic and inorganic molecules. However, some molecules can be rejected and this may depend either on a formally incorrect structure definition in the input file or on some restrictions fixed in dProperties.For this topic, see the corresponding help section.