[Chimera-users] re H-Bonds in ViewDock

[Vidana.Epa at csiro.au]

Hi Chimera users,

 

            I've started to use Chimera recently. When using ViewDock it
struck me that it would be very useful, after loading a .mol2 file of
ligands and computing H-bonds between them and the receptor, to be able
to list the number of H-bonds as a column in the ViewDock ListBox. Or,
is it somehow possible to do this already?

(One way to fix this might be to have a script that will write the
number of H-bonds computed for each molecule in a new .mol2 file, and
then read in this modified .mol2 file .... Has anybody done something in
this fashion?)

 

Thanks very much.

 

Cheers,

 

Vidana.

 

 

 

Vidana C. Epa

 

CSIRO,

Division of Health Sciences & Nutrition,

343 Royal Parade,

Parkville, Victoria 3052,

AUSTRALIA.

 

tel.: (61) - 3 - 9662 - 7345

fax.: (61) - 3 - 9662 - 7347

email: Vidana.Epa at csiro.au

 

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