Thursday 18 February 2010

MolPaint

molpaint - the MMsINC molecular paint tool, based on DINGO.

3 comments:

  1. Hello Matteo,

    Thank you very much for promoting Dingo and basing your web tool on it.

    I noticed that you treat space-separated SMILES as multiple SMILES; this can lead to errors in case of SMILES that indeed contain a space, like the following with a radical:

    C |^1:0|

    or stereo-groups:

    C[C@H](O)[C@H](C)[C@@H](C)[C@H](C)Cl |o1:1,3,&1:5,7|


    With best regards,

    Dmitry

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  2. Thanks Dmitry for your suggestion, we'll try to solve this bug! Thanks again!

    ReplyDelete
  3. Hi Dimitry, sorry for the late. You can now surround these types of input by quotes. best regards

    Gianfranco

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