[Chimera-users] problem while readin .phi file

[Elaine Meng]

Hi Urszula,
I am guessing that the message means the input radius (*.siz) file to  
DelPhi has too many lines in it.  Either you would need to make that  
file shorter or use a different one (try default.siz from the DelPhi  
people), or change the nrmax parameter in the DelPhi code and  
recompile DelPhi.

This is more of a DelPhi question than a Chimera question.  However,  
APBS may be the better way to go, since the last time I looked, the  
academic version of DelPhi was not really supported.

I would be surprised if Amber can make a DelPhi-format phi file -  
maybe that is some different kind of file.
Elaine
-----
Elaine C. Meng, Ph.D.                          meng at cgl.ucsf.edu
UCSF Computer Graphics Lab and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco
                      http://www.cgl.ucsf.edu/home/meng/index.html




On Sep 6, 2007, at 10:10 AM, Thomas Goddard wrote:

> Hi Ula,
>
>    I do not use DelPhi so I don't know what the "maximum number of
> radius records" means.
>
>    But I don't think Amber can produce a DelPhi format electrostatics
> file, and your *.phi file probably does not open in Chimera because it
> is not the expected DelPhi format.
>
>    An alternative to DelPhi for computing electrostatics is APBS.   
> It is
> free and not too hard to use and Chimera will display its output.
>
> 	Tom
>
>
> Urszula Uciechowska wrote:
>> Hi Tom,
>>
>> I was trying to use DelPhi program but i am getting the error:
>>
>> maximum # of radius records exceeded
>>   increase nrmax
>> FORTRAN STOP Do you know maybe how to get rid of it?
>> so i used amber to get phi file.
>>
>> Ula
>
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