partial solvation

Date: Fri 8 Sep 2000 10:56:30 GMT0BST

Dear All,
I am having trouble adding a solvent cap to a
protein - ligand system. I wanted to center the
cap at the end termini of the ligand. To check
the coordinates i used the desc command.
Then, I used
solvatecap unit WATBOX216 { x y z } r

where x,y and z are the location of the end
termini of the ligand,and r is the radius.

However, the sphere appears far away from the
system and NOT at the location I specified. Any
ideas why this has occurred??

Regards, Eoin Galligan
Graduate Research Student
Laboratory of Biophysics and Surface Analysis
Institute of Pharmaceutical Sciences
University of Nottingham
TEL: 00 44 (0)115 9515151 x66272
MOB: 00 44 (0)7968 349629

Laboratory of Biophysics and Surface Analysis,
Institute of Pharmaceutical Sciences,
University of Nottingham,
Received on Fri Sep 08 2000 - 03:56:30 PDT
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