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 - 17:53:01 PDT
