Anonymous Monk has asked for the wisdom of the Perl Monks concerning the following question:

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  • Comment on perl script to find molecular weight of group of compounds in smiles

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Re: perl script to find molecular weight of group of compounds in smiles
by kcott (Archbishop) on Mar 14, 2014 at 05:25 UTC
Re: perl script to find molecular weight of group of compounds in smiles
by mtmcc (Hermit) on Mar 14, 2014 at 08:51 UTC
    First, (as usual) do what kcott says.

    Second, although I do know how to use Google, a significant amount of people that regularly visit this site won't be familiar with smile format, it wouldn't hurt if you explained it.

    Third, the absolute minimum you should supply if you really want any help is an example of your input and expected output. It's challenging to anticipate either of those from your question.

    In my experience, the amount of help you get here is proportional to the amount of effort you put in, which is a fair deal if you think about it.

Re: perl script to find molecular weight of group of compounds in smiles
by Anonymous Monk on Mar 20, 2014 at 12:04 UTC
    The molecular weight remains the same when calculated in any format, be it smiles or molecular formula. I don't think it's of any utility. It's better you check out some free tools available that serve the same purpose. Check perlmol, it would help you.