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Software Developement

MCE2005 - Marching Cube ELD  

MCE is experimental program for 3D and 2D electron density map visualization. The software is mainly focused on visualization of ELD calculated from X-ray diffraction data of small molecules, but it will work for small proteins as well. It was tested under Windows 95, 98, NT 4, Win 2000 and Win XP. Read more on MCE's web pages.


This is the grid extension of FOX software. Read more on this page.

Crystal CMP

This is a simple code, which compares crystal structures. Read more on this page.

Salt or Cocrystal (ΔpKa )

Table with automatic calculation download HERE.

Updated: 31.1.2017 08:59, Author: Martin Babor

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Information provided by the Department of International Relations and the Department of R&D. Technical support by the Computing Centre.
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