Development

Background

The development of Dynamo was started in the early 1990's by Martin Field as, at that time, there were few, if any, programs available for performing simulations with hybrid QC/MM potentials. The role of Dynamo has always been as a facilitator for the author's research — it acts as a platform for implementing novel simulation algorithms which can then be used to study interesting problems of reactivity in biomacromolecular systems. Although primarily a research tool, significant effort had gone into Dynamo's development and so the decision was made early on to release the program to the scientific community in the hope that others could benefit from it in their work.

The first version of Dynamo, fDynamo-1.0, was written in Fortran 90 and was released for general use in 1999. Since then there have further releases of fDynamo culminating in the latest version, fDynamo-2.2, which is coded in a mixture of Fortrans 90 and 95.

Fairly soon after the first fDynamo release, it became clear that the program had deficiencies which it would be difficult to remedy by remaining with Fortran. After considering a number of alternatives, it was decided to create a new version of Dynamo written mostly in Python but with computationally-intensive operations coded in C. This work commenced in earnest about 2002 and led to the first release version of pDynamo in 2007.

Contributing

Contributions and suggestions by users are welcome.