Prime User Manual - ISP

90
Chapter 11: Command Syntax
Table 11.3. Keywords for the bldstruct script (Continued)
Keyword syntax Description
template_STRUCT_FILE
filename
USE_SYMMETRY {true |
false}
Files
In addition to the input files (structure and alignment) and the job files (command input file,
jobname.inp, and log file, jobname.log), bldstruct produces the following output files:
jobname-out.mae Built model in Maestro format.
jobname-out.pdb Built model in PDB format.
Return Value and Errors
bldstruct returns a value of 0 on successful completion, 1 otherwise. All error messages are
printed to the file jobname.log. There is no comprehensive listing of possible errors as these
can arise in a variety of programs and scripts.
Examples
The following is a sample input file for building on two templates:
QUERY_OFFSET 0
1TSV_NUMBER 1
1TSV_STRUCT_FILE pdb1TSV.ent
1TSV_ALIGN_FILE 1TSV.align
TEMPLATE_NAME 1BPJ_A
1BPJ_A_NUMBER 2
1BPJ_A_STRUCT_FILE pdb1BPJ_A.ent
1BPJ_A_ALIGN_FILE 1BPJ_A.align
1BPJ_A_HETERO_0 UMP :317
1BPJ_A_HETERO_1 ZN :35
TAILS 0
SIDE_OPT true
MINIMIZE true
KEEP_ROTAMERS true
MAX_INSERTION_SIZE 1000
BUILD_DELETIONS true
BUILD_TRANSITIONS true
USE_SYMMETRY false
COMPOSITE_ARRAY 111111111111111111111112222222222222222222222222222222222221111111
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Required. The PDB file to be used for this particular template.
Turn on or off use of the crystallographic symmetry of the template
file when constructing the homology model. Default: false.