[Dock-fans] About the sphere file, xxx.sph

[Scott Brozell]

Hi,

On Tue, 7 Apr 2009, li bai wrote:

> I found some info introduce the sphere file, the format of the xxx.sph at http://dock.compbio.ucsf.edu/DOCK_6/tutorials/sphere_generation/generating_spheres.htm
> It says: FORMAT: (I5, 3F10.5, F8.3, I5, I2, I3), but the real sphere files like tutorials rec.sph file is :
>
> DOCK 3.5 receptor_spheres
> cluster 1 number of spheres in cluster 158
> 19 12.41115 29.98135  57.55564 1.818 273 0 0
> 20 12.84669 28.55700  60.03390 1.902 427 0 0
> ...............................
>
> It is not the same to the FORMAT, why?

It is the same; here is rec.sph with the blanks intact:
12345678901234567890123456789012345678901234567890123456789012345678901234567890
  i5 ^     f10 ^     f10 ^     f10 ^    f8 ^ ...
    19  12.41115  29.98135  57.55564   1.818  273 0  0

Gooooggggle  Format Edit Descriptors
http://www.fortran.com/fortran/F77_std/rjcnf0001-sh-13.html

Scott

> Who can give me a detail introduction of the Shpere file like the rec.sph?
> Where can find the elucidate of the sphere file and its format?