On Thu, Nov 06, 2003, Steve Seibold wrote:
>
> Restrain oxygen atom of Ligand
> 100
> FIND
> * OH * *
> SEARCH
> RES 554 554
> END
>
>
> Here is the the OUTPUT file:
>
> GROUP 2 HAS HARMONIC CONSTRAINTS 100.00000
> ALL ATOMS THAT MEET 1 OF THE FOLLOWING SPECIFICATIONS WILL BE INCLUDED IN GROUP BELOW
> GRAPH NAME = * SYMBOL = OH TREE SYMBOL = * RESIDUE TYPE = *
> GRP 2 RES 554 TO 554
> Number of atoms in this group = 0
>
>
> P.S. I have made sure that "OH" is the atom type in both Leap and in my pdb
> files for this ligand.
You may be misinterpreting what the word "symbol" means. Atom types would
never be in a pdb file. Why don't you try to give the atom name instead
of the symbol, and see if that helps?
...good luck...dac
--
==================================================================
David A. Case | e-mail: case.scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
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Received on Thu Nov 06 2003 - 23:53:00 PST
