[Chimera-users] re H-Bonds in ViewDock

Vidana.Epa at csiro.au Vidana.Epa at csiro.au
Thu Dec 16 21:54:58 PST 2004

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.








Vidana C. Epa



Division of Health Sciences & Nutrition,

343 Royal Parade,

Parkville, Victoria 3052,



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

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

email: Vidana.Epa at csiro.au


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