Dear Dr Mishra, Your program MolE is extremely useful. Congratulations and thanks.
I have been using it routinely. Today I have had the surprise to see that the monoisotopic [M+H]+ values are not calculated. The result is NaN.00000 while the corresponding [M-H]- value is correctly given. Could you check if I am doing something wrong or is that the program has a failure in this respect.?All other values calculated by the program seem to work properly.
Thank you for your consideration. Yours sincerely, Joseph Parello Ph.D., Pharmacology, Vanderbilt University, TN, USA
Dr RC Mishra
January 17th, 2009 at 1:32 PM
Dear Prof Joseph,
Thanks for using the tool and posting your valuable comments. I have checked it just now and all calculations are working fine including [M+H]+ values.
If there is the problem with particular molecular formula’s please send me a screenshot of the results window.
Thanks again,
With Best Regards
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