Reply To: errors while running rosetta 3.1

[Anonymous]

Thanks a lot!
I found documentation from rosetta 2.3 user guide that explains these terms.
I have another question.
I am running rosetta 3.1 with rdc constraints.
I am not sure how the input file should be or if rosetta 3.1 accepts the dipolar coupling constants at all.
flags file is :

-abinitio:relax
-in:file:fasta trunc.fasta
-in:file:frag3 input/frag3.rosetta.tab
-in:file:frag9 input/frag3.rosetta.tab
-constraints:cst_weight 1
-constraints:cst_file rdc
-out:nstruct 2
-out:file:silent test.out
-out:pdb true
-out:path .

my rdc file is
10 N 10 H -11.407
11 N 11 H -10.639
12 N 12 H -7.626
13 N 13 H -10.212
14 N 14 H -12.215
15 N 15 H -8.948
16 N 16 H -7.531
17 N 17 H -11.159
18 N 18 H -11.65
74 N 74 H -8.485
75 N 75 H -7.471
76 N 76 H -13.03
77 N 77 H -11.264
78 N 78 H -9.004
79 N 79 H -9.42
80 N 80 H -13.559
81 N 81 H -8.236

but everytime i run AbinitioRelax.linuxgccrelease @flags -database

I get the error (last few lines of log file)
core.scoring.constraints: Constraint choice: rdc
core.io.constraints: read constraints from rdc
core.io.constraints: read constraints section –NO_SECTION—
core.io.constraints: no section header [ xxx ] found, try reading line-based format… DON’T MIX
core.io.constraints: read constraints from rdc

ERROR: 10 does not name a known ConstraintType –> check spelling or register new Constraint type in ConstraintFactory!
ERROR:: Exit from: src/core/scoring/constraints/ConstraintFactory.cc line: 58

It seems like the rdc constraint file is not being recognized at all.

In the “using constraints section” of the rosetta-3.1 user manual I could not find any example with rdc data.

Any help would be highly appreciated.

Thanks again,
Ishita.