US-align stuck at a chain

pylelab / USalign

Universal Structure Alignment of Monomeric and Complex Structure of Nucleic Acids and Proteins

https://zhanggroup.org/US-align/

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US-align stuck at a chain #7

Closed chanqian18 closed 1 year ago

chanqian18 commented 1 year ago

With large .mmcif files, the program seems to get stuck at a chain number, even after letting it run for up to 30 mins. All other results took seconds to produce.

kad-ecoli commented 1 year ago

I am not able to reproduce this error. It took my version of US-align less than 1 min to complete the computation. The command I use is

USalign af_Q93309_195_560.pdb 7n6g.cif -outfmt 2 -ter 0 -split 2

The PDB and mmCIF files are attached with this post. issue7.zip