#573 RXN File V3 format fails

master
closed
5
2012-10-08
2007-12-13
Asad
No

I tried reading the attached file in version 3 but it fails

Discussion

  • Asad
    Asad
    2007-12-13

    RXN version 3 file from MACiE Database

     
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    Minor notes...

    1. priority is normally assigned by the person to which the bug is assigned... me in this case
    2. it would much help if you would provide a ready to copy/paste JUnit test

    I will spend some time over the Christmas holidays to get MACiE files working...

     
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    Added JUnit test.

     
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    Problem was that the MDL V30 bits passed to the MDL V3000 reader did not have an expected header. Not sure if that is valid, but at least accepted now.