Re: dcd format

From: Brian Bennion (brian_at_youkai.llnl.gov)
Date: Thu Jan 29 2004 - 17:11:37 CST

I don't understand what it is your asking that the list hasn't answered
before.

You only need decimal format if YOU are going to read the coordinates and
YOU need to do the calculations with your calculator or pencil and paper.

Otherwise all your analysis code needs to read is the binary format and
perform operations with variables containing the coordinates.
This assumes that you have programs that will read dcd files do the
calculations that you are interested in.

Brian

 On Fri, 30 Jan 2004, himanshu chandola wrote:

> hi all -
> this one is related to the discussion we had earlier about binary
> dcd files. As i had talked then - how do u analyze a binary dcd file. Like
> you read in the time step but if you have to perform some mathematical
> operations on the coordinates - then you need to convert them back to the
> decimal format ? Is it so ?
>
> himanshu
>

*****************************************************************
**Brian Bennion, Ph.D. **
**Computational and Systems Biology Division **
**Biology and Biotechnology Research Program **
**Lawrence Livermore National Laboratory **
**P.O. Box 808, L-448 bennion1_at_llnl.gov **
**7000 East Avenue phone: (925) 422-5722 **
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