Re: Problem with Grasp

[Mary Canady <mcanady@scripps.edu>]

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The problem with the grasp surfaces, I believe, results from overstepping
parameters which are present in the init_grasp file (found in the data
directory).  You must change the "MAXIMUMATOMSPERPDB" and 
"VERTEXMAXIMUMPERBUILD" to the number of atoms you would like to display
the surface of.  After you have made this new init_grasp file you must
tell Grasp where to find it by putting a line such as "setenv GRASP 
~/grasp/data", where ~/grasp/data is the directory where the init_grasp
file is.

For detailed instructions please refer to 
http://noda.scripps.edu/howto/grasp.html
(virus people have these types of problems a lot . . .)

~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Mary (Mimi) Canady, Ph.D.        	        ph. 619.784.8647
Research Associate			 	fax 619.784.8660 
The Scripps Research Institute	  	 	email mcanady@scripps.edu 
10550 N. Torrey Pines Rd., Maildrop MB-31  	http://noda.scripps.edu
La Jolla, CA 92037                       	 
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

On Thu, 14 Jan 1999, Laurence Pearl wrote:

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> 
> 
> 
> I had a similar problem, which turned out to be a memory size parameter.
> Basically, the program runs out of memory for storing the surface and
> displays as much as it could calculate.
> 
> Unfortunately I don't remember what the parameter is, but its fairly
> trivial to change.
> 
> Laurence Pearl
> 
> 
> On Wed, 13 Jan 1999, Borhani, David wrote:
> 
> > ***  For details on how to be removed from this list visit the  ***
> > ***    CCP4 home page http://www.dl.ac.uk/CCP/CCP4/main.html    ***
> > 
> > Dear CCP4 users,
> > 
> > I have some problems with GRASP:
> > 
> > 1. I have a molecule (tetramer) for which it refuses to draw the entire
> > molecular surface, leaving ~5% of the molecule uncovered (like that part
> > of the surface was cut off with a knife). Yet, if I do each monomer
> > separately, no problem. Obviously, this is complicating my calculation
> > of the buried surface area upon tetramer formation. Any ideas as to what
> > could be wrong?
> > 
> > 2. How does one draw a rod bond-object of a ligand, with the rods
> > colored by atom type (rather than one uniform color)?
> > 
> > Thanks,
> > 
> > dave
> > 
> > -----
> > David Borhani                   borhani@sri.org
> > Southern Research Institute     Tel: (205) 581-2555
> > 2000 Ninth Avenue South         Fax: (205) 581-2877
> > Birmingham, AL 35205 U.S.A.
> > >
> > 
> 
> 
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