[Xplor-nih] marvin

[gary thompson]

On 6/11/07, gary thompson <garyt at bmb.leeds.ac.uk> wrote:
>
> some questions about marvin
>
> where should I start? do i need to alter much other than
>
> 1. alters the input peak and shifts  lists psf  files and file name roots
> 2.  remove opening of reference pdb files e.g . delete
>
> readPDB -fileName ./cvn_reference.pdb
>
> and
>
> initialShiftAssignmentAnalysis \
>     -pot $noe \
>     -referenceStructureFile ./cvn_reference.pdb \
>     -minLikelihood 0.9 \
>
> etc...




ok that was a a bit flippant I have to change the order of the axes in the
input files and foiding flags as well... ;-)

regards gary
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