[Chimera-users] problem while readin .phi file
meng at cgl.ucsf.edu
Thu Sep 6 10:29:24 PDT 2007
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
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 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
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.
> 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.
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