Dear MODELLERs:
We would like to inform you about the release of a new version of the
program TRITON (version 2). The program serves for modelling of protein
mutants and estimation of their activities. The mutant proteins are
constructed by the external program MODELLER using the modelling
protocol specifically adjusted for this purpose (new in this version).
Mutant activities are estimated from the calculation of reaction
pathways using external programs MOPAC and DRIVER.
Extensive changes in the graphic interface were made in the version 2
assisting inexperienced users with preparation of calculations. Two
wizards, one for construction of mutants and other for reaction mapping,
were developed for this purpose. A number of new tools are provided for
convenient analysis of results from the calculations, e.g. interactive
graphs for animation of the reaction, extraction of charges or
calculation of non-bonding interactions. In this version, all necessary
external programs (MODELLER 6a, MOPAC 7.01 and DRIVER 1.0) are
distributed together with TRITON in a single installation package. This
package newly contains also manual, tutorials and example files.
The program is available free of charge via web:
http://www.chemi.muni.cz/lbsd/triton.html
We hope TRITON 2.0 can become a valuable tool in your research projects,
but also in education.
Jiri Damborsky
on behalf of TRITON developers
* * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
Dr. Jiri Damborsky
National Centre for
Biomolecular Research
Masaryk University
Kotlarska 2
611 37 Brno
Czech Republic
e-mail:
phone: +420-5-41129 377
FAX: +420-5-41129 506
http://www.chemi.muni.cz/~jiri