Bug: Avogadro Molecule Editor - If you are doing "Optimize Geometry" in a long Dna Chain, the program does not respond and stops working !

in #utopian-io6 years ago (edited)


Expected behavior


Optimizing DNA Chain Geometry


Actual behavior


The program does not respond and then Avogadro.exe stops working


How to reproduce

    I was building Dna chain. After created chain, i wanted to optimize geometry. I clicked Optimize Geometry in Extensions section. Then, the program didn’t respond and Avogadro.exe stopped working. I repeated this process and it gave the same error. This time, i decided to try a small chain. I wrote DNA chain that only contains A, C, T, G bases. Then, i clicked Optimize Geometry and the optimization has finished succesfully. When the Dna chain contains about 45 bases, Avogadro stops working. But there is no problem in optimization of small Dna chains.

   When i tried optimizating in a long Dna chain again and again, Avogadro gave the same error. So, the program is shutting down itself.

   This bug causes the program to stop working and shutdown itself. It should be fixed.

  • Browser: Google Chrome
    63.0.3239.132 (Official)

  • Operating system: Windows 7 professional SP1 (32 bit)
    İntel Core 2 Duo 2.13 Ghz , 4 gb RAM

  • Program Version: Avogadro 1.2.0 (32-bit)

Recording Of The Bug

  • Extensions – Optimize Geometry – Avogadro.exe stopped working Gif’s:

  • Small Chain – Optimize Geometry and Long Chain – Optimize Geometry Video’s:

  • You can see the error in the video in detail below:



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