Re: Importing a DCD into Mathematica

From: Ajasja Ljubetič (
Date: Tue Apr 10 2012 - 16:38:24 CDT

> Some more information in a way why you need such conversion could trigger
> more answers
I would like to calculate some lipid persistence lengths and other order
parameters, including spin label parameters.
Of course all this is possible in a tcl/VMD combination, but the nice
functional features of Mahtematica are absent there. A one-time investment
into reading the DCD in Mathematica should therefore pay off.
Converting the C code is not inherently difficult, just tedious, this is
why I'm checking that I'm not duplicating someone's existing work.

Best regards,

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