[R] Read trajectory file into R
elsawy at ysbl.york.ac.uk
Wed Jul 23 12:39:05 CEST 2003
Prof Brian Ripley wrote:
> On Wed, 23 Jul 2003, Karim Elsawy wrote:
> > I wonder if there is a way to read a molecular dynamic trajectory file (
> > binary file) produced by CHARMM into R. Something like that in matlab.
> > Actually this will save tremendous effort in post processing.
> If you know the file format, yes. That's a main aim of connections and
> function readBin(). Function read.S (in package foreign) is an example.
> Brian D. Ripley, ripley at stats.ox.ac.uk
> Professor of Applied Statistics, http://www.stats.ox.ac.uk/~ripley/
> University of Oxford, Tel: +44 1865 272861 (self)
> 1 South Parks Road, +44 1865 272866 (PA)
> Oxford OX1 3TG, UK Fax: +44 1865 272595
Thanks a lot for your help, actually I do not know the exact file format
at the moment
all what I know is :
"The DCD files (the trajectory files) are single precision binary
FORTRAN files, so are transportable
between computer architectures. They are not, unfortunately,
transportable between big-endian (most workstations) and little endian
(Intel) architectures "
is this enough????
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