EVMOL : A WINDOWS-BASED PROGRAM SYSTEM FOR THE VISUALIZATION OF X-RAY STRUCTURES.

F. Ooms¹, J. Wouters¹, G. Evrard¹, F. Durant¹, Q. Quinet²

¹Facultés Universitaires Notre-Dame de la Paix, Laboratoire de Chimie Moléculaire Structurale, Namur, Belgium.
²Facultés Universitaires Notre-Dame de la Paix, Laboratoire de Chimie Théorique Appliquée, Namur, Belgium

EVMOL is a userfriendly PC-based Windows software to display and manipulate crystal structures. The program can be used as a Graphical User Interface (GUI) during the refinement process of X-ray structures or to display refined structures to perform their analyses.

The program uses directly Shelx files. A mouse edition tool provided by the GUI allows the updating of the Shelx input file. Atoms may be deleted, relabeled or renumbered and the results can be written to the INS file

MOD_MOL also calculates distances, angles, dihedrals and planes for atoms selected with the mouse. Elaborated lattice searching, packing functions and thermal ellipsoid plots are also available. The analysis tools are interfaced with the most popular Windows word processors and data sheet allowing the easy inclusion into documents.

This program can be obtained freely for academic users.