[gmx-users] trjconv PDB format problems (3.2.1)

[Tamas Horvath]

The BioJava PDB parser

On 2/3/06, David van der Spoel <spoel at xray.bmc.uu.se> wrote:
>
> Tamas Horvath wrote:
> > Hi!
> > trjconv generates an invalid HEADER record.
> >
> > REMARK    GENERATED BY TRJCONV
> > HEADER    Protein in water t=   0.00000
> > REMARK    THIS IS A SIMULATION BOX
> >
> > According to the pdb file format specifications, it's an invalid header,
> > and it causes problems while parsing.
> > So, can it be changed to REMARK?
> >
> > (Sorry if it has been changed since 3.2.1)
> >
> >
> > ------------------------------------------------------------------------
> >
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> What's wrong with it? The header should be a string of max 40
> characters, see
>
> http://www.pdb.org/pdb/static.do?p=file_formats/pdb/format_guide_noframes.html
>
> What software is complaining about it?
>
> --
> David.
> ________________________________________________________________________
> David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
> Dept. of Cell and Molecular Biology, Uppsala University.
> Husargatan 3, Box 596,          75124 Uppsala, Sweden
> phone:  46 18 471 4205          fax: 46 18 511 755
> spoel at xray.bmc.uu.se    spoel at gromacs.org   http://folding.bmc.uu.se
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