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cryos / avogadro

Avogadro 1 is not under active development, the repository was archived in September 2021. Development of Avogadro 2 is being done at https://github.com/openchemistry/avogadrolibs. Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
http://avogadro.cc/
GNU General Public License v2.0
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Crashes upon pdb import #800

Open cryos opened 9 years ago

cryos commented 9 years ago

I am a new used to Avogadro and am trying to import 1FIN.pdb. It crashes every time after saying "opening multi-domain molecule, this may take a while...". I've attached the crash report. Thankyou.

Reported by: *anonymous

emilioxavier commented 5 years ago

Hi When opening a PDB file created by tleap (protein plus ~100 waters) Avogadro 1.2.0 (macOS Mojave; 10.14.2) crashes. When fetching a structure from the RCSB everything works. When loading the same RCSB structure (downloaded from the RCSB to my machine), Avogadro also crashes.

Please let me know if you need additional information. Emilio

ghutchis commented 5 years ago

Having the file and/or RCSB accession code would be very helpful. I suspect in this case, it’s an Open Babel import bug, but I can’t tell without the file. Thanks!

emilioxavier commented 5 years ago

Sorry about that. 1hai 1hai.pdb.zip