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CASMedChem Tools > BIOCUBE4mf
BIOCUBE4mf project is under heavy development, in particular the software will be re-written using Python and new functionalities will be added.
Now we distribute a stable version (v.1.1) and a development version based on the original code, both versions will be dropped and substituted by the new version as soon as possible.
Current stable release:
BIOCUBE4mf v.1.1.
Stable release able to read and process GRID files
Next release (expected for summer 2009):
BIOCUBE4mf v.1.2
Additional options: MultiFile (utility implemented to process more GRID files present in the same directory)
BIOCUBE4mf is free of charge for academics and non-profit institutions; BIOCUBE is not free for private companies or industries which have to contact us for a license agreement. Additional options cost will be discussed case by case.
To obtain the program please send an email to
giuseppe.ermondi@unito.it
When using BIOCUBE4mf please cite:
How to Extend the Use of Grid-Based Interaction Energy Maps from Chemistry to Biotopics
Giulia Caron, Alessandra Nurisso, and Giuseppe Ermondi
ChemMedChem, 2009, 4, 29-36 (http://dx.doi.org/10.1002/cmdc.200800259)