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#1346 Mol2Reader doesn't recognise some atom types

master
closed
nobody
1
2014-07-21
2014-06-30
John May
No

Debugging MMF94 I noticed the Mol2Reader doesn't load some elements properly. This could simply be a matter of case sensitivity 'Cl' vs 'CL' but needs to be looked at.

Discussion

  • John May

    John May - 2014-06-30

    confirmed... case sensitivity in the atom type matcher.

     
  • John May

    John May - 2014-07-21

    Patch was applied to translate atom types.

     
  • John May

    John May - 2014-07-21
    • status: open --> closed