VMD-L Mailing List

From: Eric Hajjar (Eric.Hajjar_at_bccs.uib.no)
Date: Tue May 09 2006 - 05:18:37 CDT

*
** i am working with VMD-1.8.3 on a linux machine.*
*My problem is that i want to map electrostatic potential (from delphi)
to a structure file
**I've been browsing the archives but did not find help there; **& New
VMD releases brings new questions :

In fact i'm able to "load" the ".phi" file into the structural data (pdb
file); this gives:

*Info) Analyzing Volume...
Info) Grid size: 65x65x65 (4 MB)
Info) Total voxels: 274625
Info) Min: -993.881226 Max: 451.587524 Range: 1445.468750
Info) Computing volume gradient map for smooth shading
Info) Added volume data, name=complexe.phi : PHIMAP Electron Density Map
*
Then, if i understand correctly, the only way to "visualize" this data
is to use the "Volume Slice" option of drawing ?
Well, when i do that i can't see anything !
Playing with the "Slice offset" and/or Axis does not help

I am missing something: could it be that the potential map generated by
delphi **(or the format) **is wrong ?
or
Could this be hardware related ?

I would really appreciate your comments on this If you have experienced
something similar
and/or if you know how to plot Delphi maps on Pdb files

Thanks a lot for your help / advices

Sincerely
* 

-- 
-----------------------------
Eric Hajjar
Phd Student in Molecular Modeling
University of Bergen , Computational Biology Unit 
BCCS, Bergen, NORWAY
eric.hajjar_at_bccs.uib.no
tel:(+47)55584029
mob:(+47)98023282