ICM Manual v.3.1 by Ruben Abagyan Copyright © 2005, Molsoft LLC Jul 2 2008 Contents   Introduction  Release  History  Contact  Overview  Conventions  Abbreviations  Intro Reference Guide User's Guide References Glossary   Index

Prev ICM Language Reference Brief history of ICM Next ICM author's heads in italic Ruben Max The first lines of ICM were born in 1985 out of a desire to design a fast yet general framework for predicting the structure of complex biological macromolecules and their complexes. I formulated a set of requirements for a program for molecular mechanics in a full set of internal coordinates, and started working on the internal coordinate algorithms and the Fortran code of the first program blocks. By 1991 the batch parameter files were replaced by a command language and an interactive shell that looked quite similar to the current version of ICM; the molecules started to follow commands and sample the energy minima. Max Totrov and I extended or rewrote most parts of ICM from 1991 to 1994. By 1993 several people (Alexey Mazur, Mikhail Petukhov, and Dmitry Kuznetsov) had also contributed to the fortran version of ICM, however their contributions did not survive in the current version of the program. Alexey pursued the development of molecular dynamics in internal coordinates which was first formulated and tested in a series of papers in 1989 and, later, branched out of ICM. The all-C version of ICM emerged in 1994 as a result of a full rewrite. Some features were lost, but more were gained. Serge Batalov joined the development of the program in the fall of 1994, about the time Molsoft was founded. Max and I together with the new Molsoft developers, namely Eugene Raush who is writing the graphics user interface and chemical functions, and Levon Budagyan who started extending the ICM mathematical tools keep ICM strong, clean, healthy and alive. Chemistry and Math guys Eugene Levon Prev Release Home Up Next Contact

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