[Chimera-users] re H-Bonds in ViewDock

[Conrad Huang]

On Dec 16, 2004, at 9:54 PM, <Vidana.Epa at csiro.au> wrote:

> 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?)

Unfortunately, this is not possible with the 1.2065 release.  However, 
I've implemented this functionality, and it will be in the next 
release.  In the mean time, if you'd like to try it out, please e-mail 
me and I can provide a zip/tar file with the new version of ViewDock, 
which can replace the 1.2065 version with no impact on the rest of 
Chimera.

Conrad