Wanted: molecular mechanics/molecular dynamics software

Sean Eddy eddy at boulder.Colorado.EDU
Fri May 10 10:33:02 EST 1991


Could some kind and wise soul please summarize some of the
software available to do molecular mechanics and molecular
dynamics (energy minimization, etc.) on mid-sized biomolecules?

We are interested in trying to model possible tertiary structures of small
RNA molecules, 20-50 nucleotides in length, starting from
secondary structure constraints.

Our departmental facility currently uses the BIOSYM Discover/Insight
package on an IRIS workstation. The bulk of the computing
facility here is oriented towards DEC hardware, however,
and we are particularly interested in software that can
be used on our more plentiful DECstations than the scarce
IRIS station.


Thanks much,

  - Sean Eddy
  - Dept. of Molecular, Cellular, Developmental Biology
  - U. of Colorado at Boulder
  - eddy at boulder.colorado.edu




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