[Dock-fans] Chemical matching error

[Donna]

Hello again,

I have applied flexible docking (anchor and grow) using DOCK6.2.
The critical points seems to work fine and the ligands are docked in the area within the receptor.
But when I apply both the critical points and chemical matching it doesn't work and I get this error message:

*** glibc detected *** dock6: free(): invalid next size (normal): 0x0000000017359440 ***

Does anyone know what this means and what to do?

Below is short preview of my .sph file, which in total has 21 spheres (15 of which are labeled as critical and all 21 are chemically labeled;

color hydrophobic 1
color donor 2
color polar 3
cluster     0   number of spheres in cluster    21
    1  12.96100  22.23500  16.47200   2.000  0 1  1
    2    3.81300  13.49700  13.81500   2.000  0 1  1
    3    8.44800  11.29000  22.86200   2.000  0 1  2
    4  14.39100  18.02200  23.03600   2.000  0 0  1
    5    1.16500  11.52800  15.51800   2.000  0 1  3
    6  14.14700  22.37900  17.21000   2.000  0 0  1

Does the chemical matching setup in my .sph file look correct?

Kind Regards

Donna






      
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://blur.compbio.ucsf.edu/pipermail/dock-fans/attachments/20081030/ab23c046/attachment.html