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[modeller_usage] (no subject)
To : modeller-careATsalilab.org
Subject : [modeller_usage] (no subject)
From : Praveen Madala <P.MadalaATimb.uq.edu.au >
Date : Mon, 15 Nov 2004 14:48:46 +1000
Cc : modeller_usageATsalilab.org
Hi,
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....
MODELLER12 VERSION: USER FORMAT
R 3 1 1 21 2 2 0 7.1000 0.3387 SG:140 SG:222
R 3 1 1 21 2 2 0 16.0000 0.3387 CA:139 CA:248
R 3 1 1 22 2 2 0 17.0000 0.3387 CA:139 CA:248
R 3 1 1 21 2 2 0 17.0000 0.3387 CB:139 CB:248
R 3 1 1 22 2 2 0 18.0000 0.3387 CB:139 CB:248
R 3 1 1 21 2 2 0 16.0000 0.3387 CA:139 CA:251
R 3 1 1 22 2 2 0 17.0000 0.3387 CA:139 CA:251
R 3 1 1 21 2 2 0 16.5000 0.3387 CB:139 CB:251
R 3 1 1 22 2 2 0 17.5000 0.3387 CB:139 CB:251
R 3 1 1 21 2 2 0 19.6000 0.3387 CA:139 CA:252
R 3 1 1 22 2 2 0 20.6000 0.3387 CA:139 CA:252
R 3 1 1 21 2 2 0 21.5000 0.3387 CB:139 CB:252
R 3 1 1 22 2 2 0 22.5000 0.3387 CB:139 CB:252
R 3 1 1 21 2 2 0 13.3000 0.3387 CA:139 CA:249
R 3 1 1 22 2 2 0 15.3000 0.3387 CA:139 CA:249
R 3 1 1 21 2 2 0 11.4000 0.3387 CB:139 CB:249
R 3 1 1 22 2 2 0 13.4000 0.3387 CB:139 CB:249
R 3 1 1 21 2 2 0 15.0000 0.3387 CA:139 CA:250
R 3 1 1 22 2 2 0 17.0000 0.3387 CA:139 CA:250
R 3 1 1 21 2 2 0 15.3000 0.3387 CB:139 CB:250
R 3 1 1 22 2 2 0 17.3000 0.3387 CB:139 CB:250
R 3 1 1 21 2 2 0 10.0000 0.3387 CA:117 CA:292
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
1) Modeler is not recognising the "SG" (first line) or "CG" (last
four lines) atoms, when i am trying to run the MODELER program.
2) If I remove these lines the program is getting CORE dumped.
and also I didnt under stand when to use 21, 22, 27 and 30 in
distance restraints.
can you please advice me what might be the reason, and what should i do....
regards,
Praveen