Hello.
Here is my script (for MODELLER6v2):
INCLUDE
SET ATOM_FILES_DIRECTORY=''
SET ALNFILE='GPR43_ES_HSA#2.ali'
SET KNOWNS='rhodo_1u19'
SET SEQUENCE='GPR43_ES_HSA'
SET OUTPUT_CONTROL=1 1 1 1 1
SET STARTING_MODEL=1
SET ENDING_MODEL=1
CALL ROUTINE='model'
#Redefine the special_restraints routine to disable energy optimization on the residues 123 to 143
SUBROUTINE ROUTINE='special_restraints'
DELETE_RESTRAINT RESIDUE_IDS='123' '124'
END_SUBROUTINE
#energy optimization
ENERGY OUTPUT='SHORT'
OPTIMIZE OPTIMIZATION_METHOD=1,MAX_ITERATIONS=10
But I when I run the script, here is the error message :
No ":" in ATOM:RESID[CHAINID] atom identifier
I have replaced several times the string after 'RESIDUE_IDS=' ( for example: '123 :','124 :' ), but it doesn't change anything.
Thanks by advance.
Ludovic PETAIN
EUROSCREEN SA
Tel +32 71 348 500
Fax +32 71 348 519
Direct +32 71 348 5XX
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