Dear modellers, dear Andej Sali,
I have one question for you.
I built several protein models using modeller 4 time ago...
I used in the top file the following parameters:
SET HETATM_IO = on and off
SET WATER_IO = on and off
SET HYDROGEN_IO = off
SET STARTING_MODEL = 1
SET ENDING_MODEL = 1
SET MD_LEVEL = 'refine3'
CALL ROUTINE = 'model'
and I build the model with and without ligand and water in the binding
site...
since the models that I built are quite a lot my question is:
do I have to expect some difference with the models obtained using the
new version (modeller 6 released the 25 January 2002) ... or do I have
to expect the same result?
for example does something differ when I model the ligand in the two
version? or just by using the same parameter in the top file above here?
Thanks
Luca
...................................................................
Luca Settimo
Molecular Structures and Biocomputing
Department of Biochemistry and Pharmacy
Åbo Akademi University Tykistökatu 6A 20520 Turku Finland
phone: +358 (0) 2 2154600
fax: +358 (0) 2 2153280
mobile phone: +358 50 5238418
">mailto:http://www.abo.fi/~lsettimo