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unknown constraint function type: AtomPair ?

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unknown constraint function type: AtomPair ?
#1

Hi, when I tried to use constraints files with loopmodel, rosetta give the error message:

ERROR: FuncFactory: unknown constraint function type: AtomPair
ERROR:: Exit from: src/core/scoring/constraints/FuncFactory.cc line: 65

Could you help me to find out what's the problem?
Thank you very much!

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Sun, 2012-07-15 02:13
jiongzhang

Can you attach or paste in your constraints file?

Sun, 2012-07-15 06:59
smlewis

Yes, sure. Sorry for didn't provide it.

AtomPair CA 57 CA 58 HARMONIC 3.752875 3.650887
AtomPair CA 57 CA 59 HARMONIC 6.262022 3.347396
AtomPair CA 57 CA 61 HARMONIC 11.879360 3.063429
AtomPair CA 57 CA 62 HARMONIC 14.494870 3.063960
AtomPair CA 57 CA 63 HARMONIC 13.904751 2.761792
AtomPair CA 57 CA 64 HARMONIC 13.954515 2.624959
AtomPair CA 57 CA 65 HARMONIC 17.019257 2.736512
AtomPair CA 57 CA 66 HARMONIC 18.845855 2.495250
AtomPair CA 57 CA 67 HARMONIC 18.349315 2.166099
AtomPair CA 57 CA 68 HARMONIC 19.280260 2.294511
AtomPair CA 57 CA 69 HARMONIC 22.118809 2.410393
AtomPair CA 57 CA 70 HARMONIC 23.333585 2.128003
AtomPair CA 57 CA 71 HARMONIC 23.446567 2.100799
AtomPair CA 57 CA 72 HARMONIC 25.278195 2.450539
AtomPair CA 57 CA 73 HARMONIC 28.952924 2.566187
AtomPair CA 57 CA 74 HARMONIC 31.417886 2.787531
AtomPair CA 57 CA 75 HARMONIC 33.767416 2.996959
AtomPair CA 57 CA 76 HARMONIC 34.303884 3.153460
AtomPair CA 57 CA 77 HARMONIC 35.975251 3.135354
AtomPair CA 57 CA 78 HARMONIC 33.125253 2.726439
AtomPair CA 57 CA 79 HARMONIC 31.041119 2.695878
AtomPair CA 57 CA 80 HARMONIC 31.695831 2.729547
AtomPair CA 57 CA 81 HARMONIC 30.731902 2.374613
AtomPair CA 57 CA 82 HARMONIC 27.728058 2.188563
AtomPair CA 57 CA 83 HARMONIC 26.837915 2.389821
AtomPair CA 57 CA 84 HARMONIC 26.629772 2.242611
AtomPair CA 57 CA 85 HARMONIC 24.518367 1.967889
AtomPair CA 57 CA 86 HARMONIC 22.109963 2.170478
AtomPair CA 57 CA 87 HARMONIC 22.051495 2.380557
AtomPair CA 57 CA 88 HARMONIC 21.460366 2.211299
AtomPair CA 57 CA 89 HARMONIC 18.543548 2.221317
AtomPair CA 57 CA 90 HARMONIC 16.918457 2.610738
AtomPair CA 57 CA 91 HARMONIC 18.657572 2.728527
AtomPair CA 57 CA 92 HARMONIC 17.829889 2.661332
AtomPair CA 57 CA 93 HARMONIC 15.091604 2.961306
AtomPair CA 57 CA 94 HARMONIC 13.442966 2.984628
AtomPair CA 57 CA 95 HARMONIC 12.374223 3.038812
AtomPair CA 57 CA 96 HARMONIC 13.708245 3.245203
AtomPair CA 57 CA 97 HARMONIC 15.375032 3.544083
AtomPair CA 57 CA 98 HARMONIC 17.405628 3.459622
AtomPair CA 57 CA 99 HARMONIC 18.958380 3.166336

Sun, 2012-07-15 08:04
jiongzhang

If you look through the whole file, there are places like this:

AtomPair CA 57 CA 111 HARMONIC 29.319525 2.421549
AtomPair CA 56 CA 56

The error is because this line: "AtomPair CA 56 CA 56 " has no function (HARMONIC), so it interprets the next line as the function, which crashes - AtomPair is being misinterpreted as a function, which it can't do, so it crashes.

There are some short lines like that; I also spotted lines like this:

AtomPair CA 58 CA 59 HARMONIC 17.356678 nan

nan is going to cause the constraint file to crash too. Fix the broken lines and it should work.

Sun, 2012-07-15 09:18
smlewis

Thank you very much!

Tue, 2012-07-17 10:22
jiongzhang