[Chimera-users] generating electrostatic potential map

bala bala at igib.res.in
Fri Oct 27 07:43:45 PDT 2006


Hello all,

I want to generate the electrostatic potential map using Chimera. I tried through Delphi controler, however i am repeatedly getting an error as follows. I have successfully installed Delphi. Can someone suggest me what is wrong. 
    
  __________DelPhi V. 4 Release 1.1 ______________  
 |                                                | 
 | A program to solve the PB equation             | 
 | in 3D, using non-linear form, incorporating    | 
 | many dielectric regions, multisalt ionic       | 
 | strength, different probe radii, periodic      | 
 | and focussing boundary conditions, utilizing   | 
 | stripped optimum successive over-relaxation    | 
 | and an improved algorithm for mapping the      | 
 | Mol. Surface to the finite-Difference grid     | 
 | Recompiled on Linux and PC                     | 
 |    January 2002 --------  Walter Rocchia       | 
 |__________________           ___________________| 
                    DelPhi V. 4                     
   
  program started on Fri Oct 27 2006
              at 14:55:00
 opening parameter file /tmp/tmpvpgS8V
 At least 30 nonlinear iterations
 atom radii read from file
 /usr/people/ojha/BALA/chim_amber.siz
  
 unknown header format in radius file:
  O5' A     1  1.7210                                        

First it showed the same for H5 atom [which was the first atom in the siz/charge file], then i just tried by deleting the first line in the radius and charge file. Then the same error is coming for the second atom O5' in the file.

Thanks in advance,
Bala
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