Thanks for your help. I checked the mol2 files I have
and they all contain the .<TRIPOS>SUBSTRUCTURE tag.
The "Syntax error" I keep getting sounds like XLEaP
doesn't like they way I'm entering the command, but
I've typed it verbatim to what you provided in your
example, which is the same as what's in the manual.
Does anything other than mis-typed commands provoke a
"syntax error" in XLEaP?
Yours,
Robyn Ayscue
--- FyD <fyd.u-picardie.fr> wrote:
> Quoting Robyn Ayscue <kajsicat.yahoo.com>:
>
> > Hi! I'm using Amber 8 on an SGI machine running
> Irix
> > 6.5, and I've been having a bit of trouble with
> xLEaP
> > regarding the "loadmol2" command mentioned in the
> > manual. I've tried to load a file by entering the
> > following commands:
> >
> > variable = loadmol2 "test.mol2"
> > variable = loadmol2 test.mol2
> > loadmol2 test.mol2
> >
> > With each of them I get "syntax error" back from
> the
> > program, and the file fails to load. The file is
> > located in the same directory I'm running the
> program
> > from. Also, if it makes any difference, the file
> is a
> > canonical B-conformation T:A 15-residue
> > oligonucleotide (DNA). Has anyone else had this
> > problem? If so, how did you fix it? Any help would
> be
> > appreciated.
>
> It worked for me:
> M = loadmol2 M.mol2
>
> However, the section ".<TRIPOS>SUBSTRUCTURE" must be
> present in the Tripos
> format. See
> http://www.tripos.com/custResources/mol2Files/
>
> For instance Babel does generate .mol2 file without
> this section. If a Tripos
> file is loaded without this section the unit created
> stays empty...
>
> Regards, Francois
>
> F.-Y. Dupradeau
> --
> The Scripps Research Institute, San Diego, CA
> Faculte de Pharmacie, UPJV, Amiens, France
> --
> http://www.u-picardie.fr/labo/lbpd/fyd.htm
>
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Received on Thu Jun 03 2004 - 19:53:00 PDT
