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ERROR: ResidueType::add_ring: Requested atoms don't exist in this ResidueType!

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ERROR: ResidueType::add_ring: Requested atoms don't exist in this ResidueType!
#1

Hi, all,

I am currently trying to run Rifdock, which I compiled according to the instructions in this repo (https://github.com/rifdock/rifdock). However, everytime I pass it a *.pdb input file, I get the following error:

=================================================== preparing target ===================================================


ERROR: ResidueType::add_ring: Requested atoms don't exist in this ResidueType!
ERROR:: Exit from: /shortened_path/rosetta/vendor/2018.09.60072/main/source/src/core/chemical/ResidueType.cc line: 1744
 

The program runs for about 30 seconds, before it errors out. The error is really early in the sequence of steps. It occurs while rifgen is trying to prepare the target. I am attaching the .log file for reference.

Please let me know if you've compiled Rifdock on RHEL before, and if you know anything about this error.

Cheers,

Walid

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Rifdock log file8.28 KB
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Thu, 2023-07-20 09:44
walidabualafia

Looks like the issue may be due to either database corruption, or a mismatch between the database version and the code version.

It looks like it's using the database at /research/rgs01/applications/hpcf/authorized_apps/rhel7_apps/rifdock/vendor/rifdock/build/apps/rosetta/../database/ for the contents, but according to the location of the source code, it should be in  /research/rgs01/applications/hpcf/authorized_apps/rhel7_apps/rosetta/vendor/2018.09.60072/main/database  -- There might be a symlink which redirects things, though.

It's a bit hard to see what might be going on. If you re-ran with `-out:levels core.chemical:trace` on the rifgen command line, there might be a bit more info to help with debugging.

 

 

Thu, 2023-07-20 10:08
rmoretti