On Mon, Nov 15, 2004 at 02:48:46PM +1000, Praveen Madala wrote:
> I have been trying to MODEL a protein with distance restraints
> using MODELER version-12 with InsightII . Here I am attaching my .rsr
> file, and the below are the problems i got in my trials....
You will have to ask Accelrys about InsightII. It's not our program, and
the packaged version of Modeller is very very old. I recommend that you
try your problem with the latest Modeller release.
> R 3 1 1 21 2 2 0 6.00000 0.3387 N:117 N:292
> R 3 1 1 27 2 2 0 8.00000 0.3387 CB:117 CG:208
> R 3 1 1 27 2 2 0 10.0000 0.3387 CB:117 CG:208
> R 3 1 1 27 2 2 0 8.00000 0.3387 CB:117 CG:211
> R 3 1 1 27 2 2 0 10.0000 0.3387 CB:117 CG:211
...
> and also I didnt under stand when to use 21, 22, 27 and 30 in
> distance restraints.
That simply specifies which group to report the energy and violations
in. See table 2.4 in the Modeller manual, at
http://salilab.org/modeller/7v7/manual/node100.html#28305
In the latest version of Modeller, groups 21, 22, 27 and 30 correspond
to:
21 X lower bound distance restraints
22 X upper bound distance restraints
27 Distance restraints 5 (X-Y)
30 Minimal distance restraints
Ben Webb, Modeller Caretaker
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