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Bugs you should know about

This is not intended to be comprehensive, but rather, a listing of major and important bugs, with workarounds where available, to help users work with the software.

Afitt
Babel
Brood
Case
Eon
Filter
Fred
Lexichem
OEChem
OEShape
Ogham
Omega
Quacpac
Rocs
Vida
Zap
Product Version Bugs
Afitt 1.2.2 none
Babel 3.3
  1. Input OEB which is rotor-offset-compressed will be uncompressed.

    Omega 2.2.1 can and does by default create OEB files which are rotor-offset-compressed (-rotorOffsetCompress a.k.a. -roc). If Babel 3.3 inputs OEB-roc and outputs OEB, the output OEB will not be -roc. This can increase the file size significantly (e.g., 5x). This is also true of default OEChem OEB I/O.

Brood 1.1.0 none
Case 1.1.1 none
EON 2.0.1
  1. -salt not working

    The -salt parameter is not functional.

Filter 2.0.1 none
FRED 2.2.3 none
Lexichem 1.6 none
OEChem 1.5.1 none
OEShape 1.6.2 none
Ogham 1.5 none
Omega 2.2.1 none
QuacPac 1.1.1
  1. Molecular formula (total H count) can vary

    In some, we think rare, cases the H-count is not conserved. Workaround by using Babel3 and the .mf format to verify that output has consistent MF.

ROCS 2.3.1 none
Smack 1.1 none
Szybki 1.2.2 none
VIDA 3.0 none
WABE 1.3 none
Zap 2.0 none

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