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xyzVector error in Enzyme design

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xyzVector error in Enzyme design
#1

Dear all,

I'm using rosetta's enzyme design app from build "rosetta_bin_linux_2015.31.58019_bundle". The problem is that the calculation stops very frequently with the following error:

...

core.pack.rotamer_set.RotamerSet_: Using simple Rotamer generation logic for LG1
core.pack.rotamer_set.RotamerSet_: Using simple Rotamer generation logic for LG1
core.pack.rotamer_set.RotamerSet_: Using simple Rotamer generation logic for LG1
core.pack.rotamer_set.RotamerSet_: Using simple Rotamer generation logic for LG1
Error: Must call shutdown() when finished using job distributor!
caught exception Cannot normalize xyzVector of length() zero
 

I read somewhere that it may be a coding problem, but I have no idea and did not find any info on this error.

Anyone knows what's happening?

 

Cordially,

Armenio Barbosa

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Tue, 2016-01-05 09:46
ajmbarbosa

Could you provide your ligand params file, constraints file and input PDB? (You can PM me if it's something you'd prefer not to post publically.)

This is likely something that will be difficult to debug without a hands-on example to play around with.

Tue, 2016-01-05 09:58
rmoretti

I also have this problem, but only on one cluster. The same job with the same constraints and params file works elsewhere.

[ERROR] Exception caught by JobDistributor for job CP7PXN_ETS_0005 Cannot normalize xyzVector of length() zero

Thu, 2016-06-09 19:28
lah435

If you're only getting the error occasionally, I wouldn't be too worried about it. Sometimes it happens that the random numbers are such that you get a zero length vector.

I'd only be concerned if you consistently get the error with different random number seeds on different Rosetta runs.

Fri, 2016-06-17 10:36
rmoretti