Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

ernwin issue with non-coding RNA of 570nts #10

Open
gunjangunjan22 opened this issue Apr 21, 2023 · 1 comment
Open

ernwin issue with non-coding RNA of 570nts #10

gunjangunjan22 opened this issue Apr 21, 2023 · 1 comment

Comments

@gunjangunjan22
Copy link

i was running ernwin for long non-coding RNA, but it got stuck at the same step every time. I am attaching here the complete transcript of command.
(py2) [gunjan@uslims ernwin]$ ernwin.py JEV_3TR/JEV_3TR_ernwin_input.fasta --source-cg-dir /home/gunjan/ernwin/RESOURCES/CGS --source-pdb-dir /home/gunjan/ernwin/RESOURCES/PDB --reconstruct-every-n 100 -o JEV_3TR
/home/gunjan/miniconda3/envs/py2/lib/python2.7/site-packages/Bio/KDTree/init.py:25: BiopythonDeprecationWarning: Bio.KDTree has been deprecated, and we intend to remove it in a future release of Biopython. Please use Bio.PDB.kdtrees instead, which is functionally very similar.
BiopythonDeprecationWarning)
WARNING:fess.builder.builder.load_sampled_elements[46]: No (useable) 3D structure found in the input file. Starting to build an initial model.
WARNING:fess.builder.stat_container._possible_stats_inner[246]: Only 9 5prime-stats found for key 10
WARNING:fess.builder.stat_container._possible_stats_inner[246]: Only 16 angle-stats found for interior loop with 2 and 7 unpaired nucleotides
WARNING:fess.builder.stat_container._possible_stats_inner[246]: Only 0 angle-stats found for interior loop with 12 and 0 unpaired nucleotides
ERROR:fess.builder.stat_container._possible_stats_inner[281]: Trying key interior loop with 11 and 0 unpaired nucleotides instead of interior loop with 12 and 0 unpaired nucleotides for angle-stat
WARNING:fess.builder.stat_container._possible_stats_inner[246]: Only 1 angle-stats found for interior loop with 11 and 0 unpaired nucleotides
WARNING:fess.builder.stat_container._possible_stats_inner[246]: Only 47 angle-stats found for interior loop with 4 and 0 unpaired nucleotides

@Bernhard10
Copy link
Member

It could be that ernwin has a hard time building an initial model of the RNA, because its hard to find a clash-free 3D representation.

You could run it with the --verbose or --debug LOGGER_NAME option. In this case you will see an output informing you what ernwin is trying to do to achive building of the initial structure.

You could also try out (experimantal) options for quicker building (see ernwin --help), such as --relaxation-builder
or you could specify a relexed constraint energy for the multiloops to make it easier to find an acceptable structure.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

2 participants