Dear All,
After my enquiry a few days ago and some helpful responses, we are now
aware of two programs to calculate solution properties from atomic
structures (pdb files).
HYDROPRO (available for linux and windows):
http://leonardo.fcu.um.es/macromol/programs/hydropro/hydropro.htm
ref: J. Garcia de la Torre, M.L. Huertas and B. Carrasco, "Calculation
of hydrodynamic properties of globular proteins from their atomic-
level structure. Biophys. J. 78, 719-730 (2000)
SOMO (linux only): http://somoauc.googlepages.com
we used HYDROPRO in the end, which worked ok. Note to the authors of
both programs, how about a MacOSX version?
another paper:
Müller JJ. Prediction of the rotational diffusion behavior of
biopolymers on the basis of their solution or crystal structure.
Biopolymers. 1991 Feb 5;31(2):149–160.
Greetings,
Mark
Mark J. van Raaij
Dpto de Bioquímica, Facultad de Farmacia
Universidad de Santiago
15782 Santiago de Compostela
Spain
http://web.usc.es/~vanraaij/
