MOLDRAW: a program to display and manipulate molecular and crystalline structures

 

by Piero UGLIENGO  University of Torino - Dipartimento Chimica. Via P. Giuria 7 -10125 Torino. ITALY

MS Windows (Linux & Mac OS X) - 
http://www.moldraw.unito.it  

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Acknowledgments


 

MOLDRAW is the coding work of myself, so that all errors and flaws are totally under my own responsability. However, the code will not exist as such without the continuos help, suggestions and support from many people.

 

First, I would like to thank my institution, the University of Torino, for giving me the freedom to develop without constrains the code.

 

As for friends and colleauges, let me thank Prof. Davide Viterbo and Prof. Germano Rigault for teaching me all I know about crystallography. Prof. Giacomo Chiari for many brilliant suggestions which have been coded in MOLDRAW (many are still waiting...). Prof. Mauro Causa', Dr. Marco Milanesio  for supporting and continuos checking the code during the early days. Prof. Roberto Dovesi, for suggestions and for supporting me during the development of the CRYSTAL03 interface. Prof. Carla Roetti, Dr. Bartolomeo Civalleri, Dr. Gabriele Ricchiardi and Dr. Alessandro Damin for spotting many flaws in the code.

 

A special thank to Alessandro Marello and Dr. Marco Lorenz (University of Regensburg) for the effort put to run MOLDRAW under the Wine project and to Pieremanuele Canepa to provide instructions to install MOLDRAW under Mac OS X.

Pieremanuele Canepa is the main author of a nice molecular visualizer named J-ICE which can be used as a standalone or it can be run entirely on the web.

 

Finally let me thanks my students and coworkers for the patience in using and checking the code (Irene Roggero, Gianmaria Foddanu, Giovanni Bussolin, Domenico Zilioli, Claudia Busco, Marta Corno, Sergio Tosoni, Federico Musso, Xavier Monfort Solans and Albert Rimola, Enrico Berardo, Massimo Delle Piane).  


 


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