Introduction

The software is designed to perform a role of crystallographic folders organiser and shell application. XFolders allows creating a tree-like logical structure, which can be easily reconstructed using drag-and-drop operations. The tree can be created automatically from selected folder or manually. When software creates the tree automatically it looks for hkl-files and adds new folder/subfolder for each of them. Any changes applied to the tree do not affect the real physical structure on the hard drive. Thus, it can be used for creation of different links to one file from different locations. Whenever you modify files in the physical folder all links to that folder will display updated information. This sort of data organisation is useful for quick reminding the user where the structure has been published or presented, on which stage it is or simply helps to find it. Another task of the software is management of different software. Any software (command further), can be incorporated into the software. However, only the programs which take command line arguments will work with the dataset selected within XFolders.

Other features:

1. Customisable HTML tables creation
2. CIFs merging, extraction of data
3. INS sorting
4. Files conversion (PDB, CIF, MOL, INS)
5. Folders Comparison
6. Fully customisable interface

InsX tool
This tool modifies the INS file of current project in the next way:
1. The list of unconnected fragments is sorted by atoms number
2. The atoms list of separate fragments is sorted by atomic weight and label
3. The UNIT instruction is updated by request

FcoN tool
This tool converts SHELX INS and RES files, CIF and MDL MOL files to SHELX INS and RES files and MDL MOL files.
{INS, RES, CIF, MOL, PDB} → {INS, RES, MOL, PDB}

TabX - tables creation

CifX - CIF tools