RE-Autodock-.pdbq file format



To my friends :
>
> >From my .pdbq input file :
>
>    
>
> ATOM     77 HH   TYR A   9      55.605  36.345 105.717  1.00  0.00  0.339
>

>
> ATOM    100 HH   TYR A  11      54.151  43.815  94.351  1.00  0.00  0.339 

>

>
> ATOM    187 HG   SER A  20      60.564  40.971  88.857  1.00  0.00  0.310

>

>
> 1. What is HH and  HG ? When assigning the charges for the residue
for enzyme, the charges were missing for atom "H". But, for this HH and
HG there are charges such as 0.339 and 0.310.
>
> 2. What is the meaning of   the column of 1.00 and 0.00 in the above
3 line ?

3. The  "55.605  36.345 105.717 " is cartesian coordinate ? These are the cartesian coordinates of residue TYR  in chain A?
>

>
> Thanks for your answer.



Miss Ng Pei Ling
School of Pharmaceutical Sciences,

University Sciences Malaysia,

Minden 11800, Penang, Malaysia.

Tel:604-6577888
Fax:604-6570017



Do You Yahoo!?
Yahoo! Health - your guide to health and wellness