search

nrbennet / dl_binder_design

MIT License
223 stars 54 forks source link

Possible relax protocol issue #21

Open data2code opened 1 year ago

data2code commented 1 year ago

I suspect maybe there is an issue with the relax protocol XML file we use. See the attached test script using pyrosetta, it gives an error:

ERROR: Assertion `chain_index <= pose.conformation().num_chains()` failed.
ERROR:: Exit from: /home/benchmark/rosetta/source/src/core/select/residue_selector/ChainSelector.cc line: 158

However, if I run the rosetta command line, there is no error: rosetta/2020.08.61146/main/source/bin/relax.static.linuxgccrelease -parser:protocol Relax.xml -in:file:s 1crn.pdb1 -corrections::beta_nov16 true -overwrite

Wonder if you can help check if the issue is with the Relax.xml (which is the same as the RosettaFastRelaxUtil.xml file used in dl_binder_design) or I should file the issue with pyrosetta. Thanks a lot!

debug.zip